12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile

C428H252F12N32O4S4 — CID 161098843

IUPAC12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
SMILESCc1c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.Cc1c(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4n(C)c3c21.Cc1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.Cc1c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4sc3c21.Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4cccc(C#N)c4)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)c3C(F)(F)F)c12.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1
InChIInChI=1S/C62H36F3N5.C62H39N5.C52H32F3N5.C52H35N5.C50H26F3N3O2.C50H26F3N3S2.C50H29N3O2.C50H29N3S2/c1-66-39-18-16-17-38(37-39)42-31-36-55(69-49-27-12-8-23-43(49)45-32-34-53-56(59(45)69)47-25-10-14-29-51(47)67(53)40-19-4-2-5-20-40)58(62(63,64)65)61(42)70-50-28-13-9-24-44(50)46-33-35-54-57(60(46)70)48-26-11-15-30-52(48)68(54)41-21-6-3-7-22-41;1-39-53(66-56-29-14-10-25-47(56)51-33-31-49-45-23-8-12-27-54(45)64(59(49)61(51)66)42-19-4-2-5-20-42)36-35-44(41-18-16-17-40(37-41)38-63)58(39)67-57-30-15-11-26-48(57)52-34-32-50-46-24-9-13-28-55(46)65(60(50)62(52)67)43-21-6-3-7-22-43;1-57-39-18-7-5-16-37(39)46-43(57)25-23-35-33-14-3-9-20-41(33)59(49(35)46)45-27-22-32(31-13-11-12-30(28-31)29-56)51(48(45)52(53,54)55)60-42-21-10-4-15-34(42)36-24-26-44-47(50(36)60)38-17-6-8-19-40(38)58(44)2;1-31-43(56-46-21-10-6-17-37(46)41-25-23-39-35-15-4-8-19-44(35)54(2)49(39)51(41)56)28-27-34(33-14-12-13-32(29-33)30-53)48(31)57-47-22-11-7-18-38(47)42-26-24-40-36-16-5-9-20-45(36)55(3)50(40)52(42)57;2*1-54-29-12-10-11-28(27-29)30-21-24-39(55-37-17-6-2-13-31(37)33-22-25-42-44(47(33)55)35-15-4-8-19-40(35)57-42)46(50(51,52)53)49(30)56-38-18-7-3-14-32(38)34-23-26-43-45(48(34)56)36-16-5-9-20-41(36)58-43;2*1-29-41(52-42-17-6-2-13-33(42)37-21-23-39-35-15-4-8-19-44(35)54-49(39)47(37)52)26-25-32(31-12-10-11-30(27-31)28-51)46(29)53-43-18-7-3-14-34(43)38-22-24-40-36-16-5-9-20-45(36)55-50(40)48(38)53/h2-37H;2-37H,1H3;3-28H,1-2H3;4-29H,1-3H3;2*2-27H;2*2-27H,1H3
InChIKeyUIDUBHWMKFQUCV-UHFFFAOYSA-N
MW6263.19 g/mol
LogP118.74
Rot. Bonds28

About 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile

12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile (PubChem CID 161098843) has the molecular formula C428H252F12N32O4S4 and a molecular weight of 6263.19 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
PubChem CID161098843
Molecular FormulaC428H252F12N32O4S4
Molecular Weight6263.19 g/mol
Exact Mass6257.92
IUPAC Name12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
SMILESCc1c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.Cc1c(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4n(C)c3c21.Cc1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.Cc1c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4sc3c21.Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4cccc(C#N)c4)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)c3C(F)(F)F)c12.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1
InChIInChI=1S/C62H36F3N5.C62H39N5.C52H32F3N5.C52H35N5.C50H26F3N3O2.C50H26F3N3S2.C50H29N3O2.C50H29N3S2/c1-66-39-18-16-17-38(37-39)42-31-36-55(69-49-27-12-8-23-43(49)45-32-34-53-56(59(45)69)47-25-10-14-29-51(47)67(53)40-19-4-2-5-20-40)58(62(63,64)65)61(42)70-50-28-13-9-24-44(50)46-33-35-54-57(60(46)70)48-26-11-15-30-52(48)68(54)41-21-6-3-7-22-41;1-39-53(66-56-29-14-10-25-47(56)51-33-31-49-45-23-8-12-27-54(45)64(59(49)61(51)66)42-19-4-2-5-20-42)36-35-44(41-18-16-17-40(37-41)38-63)58(39)67-57-30-15-11-26-48(57)52-34-32-50-46-24-9-13-28-55(46)65(60(50)62(52)67)43-21-6-3-7-22-43;1-57-39-18-7-5-16-37(39)46-43(57)25-23-35-33-14-3-9-20-41(33)59(49(35)46)45-27-22-32(31-13-11-12-30(28-31)29-56)51(48(45)52(53,54)55)60-42-21-10-4-15-34(42)36-24-26-44-47(50(36)60)38-17-6-8-19-40(38)58(44)2;1-31-43(56-46-21-10-6-17-37(46)41-25-23-39-35-15-4-8-19-44(35)54(2)49(39)51(41)56)28-27-34(33-14-12-13-32(29-33)30-53)48(31)57-47-22-11-7-18-38(47)42-26-24-40-36-16-5-9-20-45(36)55(3)50(40)52(42)57;2*1-54-29-12-10-11-28(27-29)30-21-24-39(55-37-17-6-2-13-31(37)33-22-25-42-44(47(33)55)35-15-4-8-19-40(35)57-42)46(50(51,52)53)49(30)56-38-18-7-3-14-32(38)34-23-26-43-45(48(34)56)36-16-5-9-20-41(36)58-43;2*1-29-41(52-42-17-6-2-13-33(42)37-21-23-39-35-15-4-8-19-44(35)54-49(39)47(37)52)26-25-32(31-12-10-11-30(27-31)28-51)46(29)53-43-18-7-3-14-34(43)38-22-24-40-36-16-5-9-20-45(36)55-50(40)48(38)53/h2-37H;2-37H,1H3;3-28H,1-2H3;4-29H,1-3H3;2*2-27H;2*2-27H,1H3
InChIKeyUIDUBHWMKFQUCV-UHFFFAOYSA-N
XLogP118.74
TPSA302.91 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds28
Heavy Atoms480
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006263.19
LogP ≤ 5118.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile?
The IUPAC name of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile (CID 161098843) is 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile.
What is the SMILES notation for 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile?
The canonical SMILES for 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile is Cc1c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.Cc1c(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4n(C)c3c21.Cc1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.Cc1c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)ccc(-c2cccc(C#N)c2)c1-n1c2ccccc2c2ccc3c4ccccc4sc3c21.Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4cccc(C#N)c4)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)c3C(F)(F)F)c12.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1.
What is the InChIKey of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile?
The InChIKey is UIDUBHWMKFQUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36F3N5.C62H39N5.C52H32F3N5.C52H35N5.C50H26F3N3O2.C50H26F3N3S2.C50H29N3O2.C50H29N3S2/c1-66-39-18-16-17-38(37-39)42-31-36-55(69-49-27-12-8-23-43(49)45-32-34-53-56(59(45)69)47-25-10-14-29-51(47)67(53)40-19-4-2-5-20-40)58(62(63,64)65)61(42)70-50-28-13-9-24-44(50)46-33-35-54-57(60(46)70)48-26-11-15-30-52(48)68(54)41-21-6-3-7-22-41;1-39-53(66-56-29-14-10-25-47(56)51-33-31-49-45-23-8-12-27-54(45)64(59(49)61(51)66)42-19-4-2-5-20-42)36-35-44(41-18-16-17-40(37-41)38-63)58(39)67-57-30-15-11-26-48(57)52-34-32-50-46-24-9-13-28-55(46)65(60(50)62(52)67)43-21-6-3-7-22-43;1-57-39-18-7-5-16-37(39)46-43(57)25-23-35-33-14-3-9-20-41(33)59(49(35)46)45-27-22-32(31-13-11-12-30(28-31)29-56)51(48(45)52(53,54)55)60-42-21-10-4-15-34(42)36-24-26-44-47(50(36)60)38-17-6-8-19-40(38)58(44)2;1-31-43(56-46-21-10-6-17-37(46)41-25-23-39-35-15-4-8-19-44(35)54(2)49(39)51(41)56)28-27-34(33-14-12-13-32(29-33)30-53)48(31)57-47-22-11-7-18-38(47)42-26-24-40-36-16-5-9-20-45(36)55(3)50(40)52(42)57;2*1-54-29-12-10-11-28(27-29)30-21-24-39(55-37-17-6-2-13-31(37)33-22-25-42-44(47(33)55)35-15-4-8-19-40(35)57-42)46(50(51,52)53)49(30)56-38-18-7-3-14-32(38)34-23-26-43-45(48(34)56)36-16-5-9-20-41(36)58-43;2*1-29-41(52-42-17-6-2-13-33(42)37-21-23-39-35-15-4-8-19-44(35)54-49(39)47(37)52)26-25-32(31-12-10-11-30(27-31)28-51)46(29)53-43-18-7-3-14-34(43)38-22-24-40-36-16-5-9-20-45(36)55-50(40)48(38)53/h2-37H;2-37H,1H3;3-28H,1-2H3;4-29H,1-3H3;2*2-27H;2*2-27H,1H3.
What are the key properties of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile?
12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile has a molecular weight of 6263.19 g/mol, XLogP of 118.74, 28 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile is sourced from PubChem (CID 161098843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).