4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

C371H237N19O6S3 — CID 167552235

IUPAC4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESC1=Cc2c(-c3cccc4c3oc3c4c4ccccc4n3-c3ccccc3)ccc(-n3c4ccccc4c4ccccc43)c2CC1.CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3c4c4ccccc4n3-c3ccccc3)cc2)c2ccccc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc4c3sc3c4c4ccccc4n3-c3ccccc3)cc2)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)c4sc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc(-n6c7ccccc7c7cc(N8c9ccccc9Oc9ccccc98)ccc76)cc5)c4oc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4sc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6c(ccc7cc(-n8c9ccccc9c9ccccc98)ccc76)c5)c4oc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6cc(-n7c8ccccc8c8ccccc87)ccc6c5)c4oc32)cc1
InChIInChI=1S/C53H37N3O.C50H31N3O2.C50H31N3S.C50H32N2S.C46H28N2O.C42H26N2O.C42H28N2O.C38H24N2S/c1-53(2)43-21-8-12-25-48(43)55(49-26-13-9-22-44(49)53)37-31-32-47-42(33-37)39-17-6-10-23-45(39)54(47)36-29-27-34(28-30-36)38-19-14-20-41-50-40-18-7-11-24-46(40)56(52(50)57-51(38)41)35-15-4-3-5-16-35;1-2-13-33(14-3-1)53-42-20-7-5-16-38(42)48-39-18-12-17-36(49(39)55-50(48)53)32-25-27-34(28-26-32)51-41-19-6-4-15-37(41)40-31-35(29-30-43(40)51)52-44-21-8-10-23-46(44)54-47-24-11-9-22-45(47)52;1-2-13-33(14-3-1)53-46-24-11-7-18-40(46)48-41-20-12-19-36(49(41)54-50(48)53)32-25-27-34(28-26-32)51-45-23-10-6-17-39(45)42-31-35(29-30-47(42)51)52-43-21-8-4-15-37(43)38-16-5-9-22-44(38)52;1-4-13-33(14-5-1)36-25-29-46-43(31-36)44-32-37(34-15-6-2-7-16-34)26-30-47(44)51(46)39-27-23-35(24-28-39)40-20-12-21-42-48-41-19-10-11-22-45(41)52(50(48)53-49(40)42)38-17-8-3-9-18-38;1-2-11-32(12-3-1)48-43-20-9-6-15-39(43)44-40-17-10-16-36(45(40)49-46(44)48)30-23-25-34-29(27-30)21-22-31-28-33(24-26-35(31)34)47-41-18-7-4-13-37(41)38-14-5-8-19-42(38)47;1-2-11-30(12-3-1)44-39-20-9-6-15-35(39)40-36-17-10-16-32(41(36)45-42(40)44)29-22-21-28-26-31(24-23-27(28)25-29)43-37-18-7-4-13-33(37)34-14-5-8-19-38(34)43;1-2-13-27(14-3-1)43-38-24-11-8-19-34(38)40-35-21-12-20-33(41(35)45-42(40)43)29-25-26-39(30-16-5-4-15-28(29)30)44-36-22-9-6-17-31(36)32-18-7-10-23-37(32)44;1-2-11-26(12-3-1)40-35-20-9-6-15-31(35)36-32-17-10-16-28(37(32)41-38(36)40)25-21-23-27(24-22-25)39-33-18-7-4-13-29(33)30-14-5-8-19-34(30)39/h3-33H,1-2H3;1-31H;1-31H;1-32H;1-28H;1-26H;1-4,6-15,17-26H,5,16H2;1-24H
InChIKeyCOCLXLHWCNJTDE-UHFFFAOYSA-N
MW5153.30 g/mol
LogP102.29
Rot. Bonds29

About 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 167552235) has the molecular formula C371H237N19O6S3 and a molecular weight of 5153.30 g/mol. Its IUPAC name is 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID167552235
Molecular FormulaC371H237N19O6S3
Molecular Weight5153.30 g/mol
Exact Mass5148.80
IUPAC Name4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESC1=Cc2c(-c3cccc4c3oc3c4c4ccccc4n3-c3ccccc3)ccc(-n3c4ccccc4c4ccccc43)c2CC1.CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3c4c4ccccc4n3-c3ccccc3)cc2)c2ccccc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc4c3sc3c4c4ccccc4n3-c3ccccc3)cc2)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)c4sc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc(-n6c7ccccc7c7cc(N8c9ccccc9Oc9ccccc98)ccc76)cc5)c4oc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4sc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6c(ccc7cc(-n8c9ccccc9c9ccccc98)ccc76)c5)c4oc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6cc(-n7c8ccccc8c8ccccc87)ccc6c5)c4oc32)cc1
InChIInChI=1S/C53H37N3O.C50H31N3O2.C50H31N3S.C50H32N2S.C46H28N2O.C42H26N2O.C42H28N2O.C38H24N2S/c1-53(2)43-21-8-12-25-48(43)55(49-26-13-9-22-44(49)53)37-31-32-47-42(33-37)39-17-6-10-23-45(39)54(47)36-29-27-34(28-30-36)38-19-14-20-41-50-40-18-7-11-24-46(40)56(52(50)57-51(38)41)35-15-4-3-5-16-35;1-2-13-33(14-3-1)53-42-20-7-5-16-38(42)48-39-18-12-17-36(49(39)55-50(48)53)32-25-27-34(28-26-32)51-41-19-6-4-15-37(41)40-31-35(29-30-43(40)51)52-44-21-8-10-23-46(44)54-47-24-11-9-22-45(47)52;1-2-13-33(14-3-1)53-46-24-11-7-18-40(46)48-41-20-12-19-36(49(41)54-50(48)53)32-25-27-34(28-26-32)51-45-23-10-6-17-39(45)42-31-35(29-30-47(42)51)52-43-21-8-4-15-37(43)38-16-5-9-22-44(38)52;1-4-13-33(14-5-1)36-25-29-46-43(31-36)44-32-37(34-15-6-2-7-16-34)26-30-47(44)51(46)39-27-23-35(24-28-39)40-20-12-21-42-48-41-19-10-11-22-45(41)52(50(48)53-49(40)42)38-17-8-3-9-18-38;1-2-11-32(12-3-1)48-43-20-9-6-15-39(43)44-40-17-10-16-36(45(40)49-46(44)48)30-23-25-34-29(27-30)21-22-31-28-33(24-26-35(31)34)47-41-18-7-4-13-37(41)38-14-5-8-19-42(38)47;1-2-11-30(12-3-1)44-39-20-9-6-15-35(39)40-36-17-10-16-32(41(36)45-42(40)44)29-22-21-28-26-31(24-23-27(28)25-29)43-37-18-7-4-13-33(37)34-14-5-8-19-38(34)43;1-2-13-27(14-3-1)43-38-24-11-8-19-34(38)40-35-21-12-20-33(41(35)45-42(40)43)29-25-26-39(30-16-5-4-15-28(29)30)44-36-22-9-6-17-31(36)32-18-7-10-23-37(32)44;1-2-11-26(12-3-1)40-35-20-9-6-15-31(35)36-32-17-10-16-28(37(32)41-38(36)40)25-21-23-27(24-22-25)39-33-18-7-4-13-29(33)30-14-5-8-19-34(30)39/h3-33H,1-2H3;1-31H;1-31H;1-32H;1-28H;1-26H;1-4,6-15,17-26H,5,16H2;1-24H
InChIKeyCOCLXLHWCNJTDE-UHFFFAOYSA-N
XLogP102.29
TPSA165.22 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms399
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005153.30
LogP ≤ 5102.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 167552235) is 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is C1=Cc2c(-c3cccc4c3oc3c4c4ccccc4n3-c3ccccc3)ccc(-n3c4ccccc4c4ccccc43)c2CC1.CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3c4c4ccccc4n3-c3ccccc3)cc2)c2ccccc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc4c3sc3c4c4ccccc4n3-c3ccccc3)cc2)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)c4sc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc(-n6c7ccccc7c7cc(N8c9ccccc9Oc9ccccc98)ccc76)cc5)c4oc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4sc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6c(ccc7cc(-n8c9ccccc9c9ccccc98)ccc76)c5)c4oc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6cc(-n7c8ccccc8c8ccccc87)ccc6c5)c4oc32)cc1.
What is the InChIKey of 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is COCLXLHWCNJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3O.C50H31N3O2.C50H31N3S.C50H32N2S.C46H28N2O.C42H26N2O.C42H28N2O.C38H24N2S/c1-53(2)43-21-8-12-25-48(43)55(49-26-13-9-22-44(49)53)37-31-32-47-42(33-37)39-17-6-10-23-45(39)54(47)36-29-27-34(28-30-36)38-19-14-20-41-50-40-18-7-11-24-46(40)56(52(50)57-51(38)41)35-15-4-3-5-16-35;1-2-13-33(14-3-1)53-42-20-7-5-16-38(42)48-39-18-12-17-36(49(39)55-50(48)53)32-25-27-34(28-26-32)51-41-19-6-4-15-37(41)40-31-35(29-30-43(40)51)52-44-21-8-10-23-46(44)54-47-24-11-9-22-45(47)52;1-2-13-33(14-3-1)53-46-24-11-7-18-40(46)48-41-20-12-19-36(49(41)54-50(48)53)32-25-27-34(28-26-32)51-45-23-10-6-17-39(45)42-31-35(29-30-47(42)51)52-43-21-8-4-15-37(43)38-16-5-9-22-44(38)52;1-4-13-33(14-5-1)36-25-29-46-43(31-36)44-32-37(34-15-6-2-7-16-34)26-30-47(44)51(46)39-27-23-35(24-28-39)40-20-12-21-42-48-41-19-10-11-22-45(41)52(50(48)53-49(40)42)38-17-8-3-9-18-38;1-2-11-32(12-3-1)48-43-20-9-6-15-39(43)44-40-17-10-16-36(45(40)49-46(44)48)30-23-25-34-29(27-30)21-22-31-28-33(24-26-35(31)34)47-41-18-7-4-13-37(41)38-14-5-8-19-42(38)47;1-2-11-30(12-3-1)44-39-20-9-6-15-35(39)40-36-17-10-16-32(41(36)45-42(40)44)29-22-21-28-26-31(24-23-27(28)25-29)43-37-18-7-4-13-33(37)34-14-5-8-19-38(34)43;1-2-13-27(14-3-1)43-38-24-11-8-19-34(38)40-35-21-12-20-33(41(35)45-42(40)43)29-25-26-39(30-16-5-4-15-28(29)30)44-36-22-9-6-17-31(36)32-18-7-10-23-37(32)44;1-2-11-26(12-3-1)40-35-20-9-6-15-31(35)36-32-17-10-16-28(37(32)41-38(36)40)25-21-23-27(24-22-25)39-33-18-7-4-13-29(33)30-14-5-8-19-34(30)39/h3-33H,1-2H3;1-31H;1-31H;1-32H;1-28H;1-26H;1-4,6-15,17-26H,5,16H2;1-24H.
What are the key properties of 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 5153.30 g/mol, XLogP of 102.29, 29 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-(4-carbazol-9-yl-5,6-dihydronaphthalen-1-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(4-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole;4-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 167552235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).