4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile

C228H146F12N20 — CID 159544747

IUPAC4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccncc1-c1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)ccc1C#N.Cc1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)ccc1C#N.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2cnccc2-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1
InChIInChI=1S/3C50H34N4.C40H21F9N4.C38H23F3N4/c1-32-9-7-11-34(25-32)36-18-21-48-43(27-36)40-13-3-5-15-46(40)53(48)39-20-17-38(30-51)42(29-39)45-31-52-24-23-50(45)54-47-16-6-4-14-41(47)44-28-37(19-22-49(44)54)35-12-8-10-33(2)26-35;1-32-11-3-5-13-38(32)34-20-23-48-43(27-34)40-15-7-9-17-46(40)53(48)37-22-19-36(30-51)42(29-37)45-31-52-26-25-50(45)54-47-18-10-8-16-41(47)44-28-35(21-24-49(44)54)39-14-6-4-12-33(39)2;1-32-11-15-34(16-12-32)36-20-23-48-43(27-36)40-7-3-5-9-46(40)53(48)39-22-19-38(30-51)42(29-39)45-31-52-26-25-50(45)54-47-10-6-4-8-41(47)44-28-37(21-24-49(44)54)35-17-13-33(2)14-18-35;1-21-2-8-35-28(14-21)29-15-25(40(47,48)49)6-11-36(29)53(35)37-12-13-51-20-32(37)27-18-26(7-3-22(27)19-50)52-33-9-4-23(38(41,42)43)16-30(33)31-17-24(39(44,45)46)5-10-34(31)52;1-23-10-14-36-30(18-23)27-6-3-5-9-34(27)45(36)37-16-17-43-22-32(37)29-20-26(13-11-24(29)21-42)44-33-8-4-2-7-28(33)31-19-25(38(39,40)41)12-15-35(31)44/h3*3-29,31H,1-2H3;2-18,20H,1H3;2-20,22H,1H3
InChIKeyMEQTWRZJBNJBMZ-UHFFFAOYSA-N
MW3393.79 g/mol
LogP60.62
Rot. Bonds21

About 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile

4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile (PubChem CID 159544747) has the molecular formula C228H146F12N20 and a molecular weight of 3393.79 g/mol. Its IUPAC name is 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
PubChem CID159544747
Molecular FormulaC228H146F12N20
Molecular Weight3393.79 g/mol
Exact Mass3391.18
IUPAC Name4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccncc1-c1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)ccc1C#N.Cc1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)ccc1C#N.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2cnccc2-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1
InChIInChI=1S/3C50H34N4.C40H21F9N4.C38H23F3N4/c1-32-9-7-11-34(25-32)36-18-21-48-43(27-36)40-13-3-5-15-46(40)53(48)39-20-17-38(30-51)42(29-39)45-31-52-24-23-50(45)54-47-16-6-4-14-41(47)44-28-37(19-22-49(44)54)35-12-8-10-33(2)26-35;1-32-11-3-5-13-38(32)34-20-23-48-43(27-34)40-15-7-9-17-46(40)53(48)37-22-19-36(30-51)42(29-37)45-31-52-26-25-50(45)54-47-18-10-8-16-41(47)44-28-35(21-24-49(44)54)39-14-6-4-12-33(39)2;1-32-11-15-34(16-12-32)36-20-23-48-43(27-36)40-7-3-5-9-46(40)53(48)39-22-19-38(30-51)42(29-39)45-31-52-26-25-50(45)54-47-10-6-4-8-41(47)44-28-37(21-24-49(44)54)35-17-13-33(2)14-18-35;1-21-2-8-35-28(14-21)29-15-25(40(47,48)49)6-11-36(29)53(35)37-12-13-51-20-32(37)27-18-26(7-3-22(27)19-50)52-33-9-4-23(38(41,42)43)16-30(33)31-17-24(39(44,45)46)5-10-34(31)52;1-23-10-14-36-30(18-23)27-6-3-5-9-34(27)45(36)37-16-17-43-22-32(37)29-20-26(13-11-24(29)21-42)44-33-8-4-2-7-28(33)31-19-25(38(39,40)41)12-15-35(31)44/h3*3-29,31H,1-2H3;2-18,20H,1H3;2-20,22H,1H3
InChIKeyMEQTWRZJBNJBMZ-UHFFFAOYSA-N
XLogP60.62
TPSA232.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003393.79
LogP ≤ 560.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile (CID 159544747) is 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccncc1-c1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)ccc1C#N.Cc1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)ccc1C#N.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2cnccc2-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1.
What is the InChIKey of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The InChIKey is MEQTWRZJBNJBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H34N4.C40H21F9N4.C38H23F3N4/c1-32-9-7-11-34(25-32)36-18-21-48-43(27-36)40-13-3-5-15-46(40)53(48)39-20-17-38(30-51)42(29-39)45-31-52-24-23-50(45)54-47-16-6-4-14-41(47)44-28-37(19-22-49(44)54)35-12-8-10-33(2)26-35;1-32-11-3-5-13-38(32)34-20-23-48-43(27-34)40-15-7-9-17-46(40)53(48)37-22-19-36(30-51)42(29-37)45-31-52-26-25-50(45)54-47-18-10-8-16-41(47)44-28-35(21-24-49(44)54)39-14-6-4-12-33(39)2;1-32-11-15-34(16-12-32)36-20-23-48-43(27-36)40-7-3-5-9-46(40)53(48)39-22-19-38(30-51)42(29-39)45-31-52-26-25-50(45)54-47-10-6-4-8-41(47)44-28-37(21-24-49(44)54)35-17-13-33(2)14-18-35;1-21-2-8-35-28(14-21)29-15-25(40(47,48)49)6-11-36(29)53(35)37-12-13-51-20-32(37)27-18-26(7-3-22(27)19-50)52-33-9-4-23(38(41,42)43)16-30(33)31-17-24(39(44,45)46)5-10-34(31)52;1-23-10-14-36-30(18-23)27-6-3-5-9-34(27)45(36)37-16-17-43-22-32(37)29-20-26(13-11-24(29)21-42)44-33-8-4-2-7-28(33)31-19-25(38(39,40)41)12-15-35(31)44/h3*3-29,31H,1-2H3;2-18,20H,1H3;2-20,22H,1H3.
What are the key properties of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile has a molecular weight of 3393.79 g/mol, XLogP of 60.62, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;2-[4-(3-methylcarbazol-9-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-2-[4-[3-(2-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-2-[4-[3-(3-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-2-[4-[3-(4-methylphenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 159544747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).