2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile

C72H45N5 — CID 139523682

IUPAC2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-c2ccc(-n3c4ccccc4c4cccnc43)cc2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C72H45N5/c73-46-64-70(76-66-35-29-52(47-16-5-1-6-17-47)40-60(66)61-41-53(30-36-67(61)76)48-18-7-2-8-19-48)44-56(51-27-33-57(34-28-51)75-65-26-14-13-24-58(65)59-25-15-39-74-72(59)75)45-71(64)77-68-37-31-54(49-20-9-3-10-21-49)42-62(68)63-43-55(32-38-69(63)77)50-22-11-4-12-23-50/h1-45H
InChIKeyNVHKQRBUNYETPO-UHFFFAOYSA-N
MW980.19 g/mol
LogP18.58
Rot. Bonds8

About 2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile

2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile (PubChem CID 139523682) has the molecular formula C72H45N5 and a molecular weight of 980.19 g/mol. Its IUPAC name is 2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
PubChem CID139523682
Molecular FormulaC72H45N5
Molecular Weight980.19 g/mol
Exact Mass979.37
IUPAC Name2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-c2ccc(-n3c4ccccc4c4cccnc43)cc2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C72H45N5/c73-46-64-70(76-66-35-29-52(47-16-5-1-6-17-47)40-60(66)61-41-53(30-36-67(61)76)48-18-7-2-8-19-48)44-56(51-27-33-57(34-28-51)75-65-26-14-13-24-58(65)59-25-15-39-74-72(59)75)45-71(64)77-68-37-31-54(49-20-9-3-10-21-49)42-62(68)63-43-55(32-38-69(63)77)50-22-11-4-12-23-50/h1-45H
InChIKeyNVHKQRBUNYETPO-UHFFFAOYSA-N
XLogP18.58
TPSA51.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.19
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523708
2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139507231
6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 170064512
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523680
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785146
8-phenyl-5-[4-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)phenyl]pyrido[4,3-b]indole
CID 170061041
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515
7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 129221910
2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301953
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile?
The IUPAC name of 2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile (CID 139523682) is 2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile.
What is the SMILES notation for 2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile?
The canonical SMILES for 2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile is N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-c2ccc(-n3c4ccccc4c4cccnc43)cc2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile?
The InChIKey is NVHKQRBUNYETPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45N5/c73-46-64-70(76-66-35-29-52(47-16-5-1-6-17-47)40-60(66)61-41-53(30-36-67(61)76)48-18-7-2-8-19-48)44-56(51-27-33-57(34-28-51)75-65-26-14-13-24-58(65)59-25-15-39-74-72(59)75)45-71(64)77-68-37-31-54(49-20-9-3-10-21-49)42-62(68)63-43-55(32-38-69(63)77)50-22-11-4-12-23-50/h1-45H.
What are the key properties of 2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile?
2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile has a molecular weight of 980.19 g/mol, XLogP of 18.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 139523682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).