4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile

C122H83N7 — CID 137369087

IUPAC4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4N(c4ccccc4)c4ccccc4)cc3c3cc(-c4ccccc4N(c4ccccc4)c4ccccc4)ccc32)c(-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-n2c3ccccc3c3cc(N)ccc32)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C79H54N4.C43H29N3/c80-55-70-75(56-29-9-1-10-30-56)77(58-33-13-3-14-34-58)79(78(59-35-15-4-16-36-59)76(70)57-31-11-2-12-32-57)83-73-51-49-60(66-45-25-27-47-71(66)81(62-37-17-5-18-38-62)63-39-19-6-20-40-63)53-68(73)69-54-61(50-52-74(69)83)67-46-26-28-48-72(67)82(64-41-21-7-22-42-64)65-43-23-8-24-44-65;44-28-36-39(29-15-5-1-6-16-29)41(31-19-9-3-10-20-31)43(42(32-21-11-4-12-22-32)40(36)30-17-7-2-8-18-30)46-37-24-14-13-23-34(37)35-27-33(45)25-26-38(35)46/h1-54H;1-27H,45H2
InChIKeyWKMLQJGFVHBKKR-UHFFFAOYSA-N
MW1647.06 g/mol
LogP32.50
Rot. Bonds18

About 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile

4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile (PubChem CID 137369087) has the molecular formula C122H83N7 and a molecular weight of 1647.06 g/mol. Its IUPAC name is 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile.

Molecular Properties

Compound Name4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile
PubChem CID137369087
Molecular FormulaC122H83N7
Molecular Weight1647.06 g/mol
Exact Mass1645.67
IUPAC Name4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4N(c4ccccc4)c4ccccc4)cc3c3cc(-c4ccccc4N(c4ccccc4)c4ccccc4)ccc32)c(-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-n2c3ccccc3c3cc(N)ccc32)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C79H54N4.C43H29N3/c80-55-70-75(56-29-9-1-10-30-56)77(58-33-13-3-14-34-58)79(78(59-35-15-4-16-36-59)76(70)57-31-11-2-12-32-57)83-73-51-49-60(66-45-25-27-47-71(66)81(62-37-17-5-18-38-62)63-39-19-6-20-40-63)53-68(73)69-54-61(50-52-74(69)83)67-46-26-28-48-72(67)82(64-41-21-7-22-42-64)65-43-23-8-24-44-65;44-28-36-39(29-15-5-1-6-16-29)41(31-19-9-3-10-20-31)43(42(32-21-11-4-12-22-32)40(36)30-17-7-2-8-18-30)46-37-24-14-13-23-34(37)35-27-33(45)25-26-38(35)46/h1-54H;1-27H,45H2
InChIKeyWKMLQJGFVHBKKR-UHFFFAOYSA-N
XLogP32.50
TPSA89.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001647.06
LogP ≤ 532.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile with MolForge

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Related Compounds

2,6-bis(2-carbazol-9-ylphenyl)-4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 137368880
4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile
CID 142508264
4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile
CID 137369133
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 169064297
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289340
N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
CID 90215101
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
3,5-bis(3,6-diphenylcarbazol-9-yl)-2,4,6-triphenylbenzonitrile
CID 137369312
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile?
The IUPAC name of 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile (CID 137369087) is 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile.
What is the SMILES notation for 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile?
The canonical SMILES for 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile is N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4N(c4ccccc4)c4ccccc4)cc3c3cc(-c4ccccc4N(c4ccccc4)c4ccccc4)ccc32)c(-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-n2c3ccccc3c3cc(N)ccc32)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile?
The InChIKey is WKMLQJGFVHBKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H54N4.C43H29N3/c80-55-70-75(56-29-9-1-10-30-56)77(58-33-13-3-14-34-58)79(78(59-35-15-4-16-36-59)76(70)57-31-11-2-12-32-57)83-73-51-49-60(66-45-25-27-47-71(66)81(62-37-17-5-18-38-62)63-39-19-6-20-40-63)53-68(73)69-54-61(50-52-74(69)83)67-46-26-28-48-72(67)82(64-41-21-7-22-42-64)65-43-23-8-24-44-65;44-28-36-39(29-15-5-1-6-16-29)41(31-19-9-3-10-20-31)43(42(32-21-11-4-12-22-32)40(36)30-17-7-2-8-18-30)46-37-24-14-13-23-34(37)35-27-33(45)25-26-38(35)46/h1-54H;1-27H,45H2.
What are the key properties of 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile?
4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile has a molecular weight of 1647.06 g/mol, XLogP of 32.50, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile is sourced from PubChem (CID 137369087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).