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

C50H33N5 — CID 139507231

IUPAC2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C#N
InChIInChI=1S/C50H33N5/c1-31-20-22-46-40(25-31)37-14-4-7-18-44(37)54(46)48-28-34(29-49(42(48)30-51)55-45-19-8-5-15-38(45)41-26-32(2)21-23-47(41)55)33-11-9-12-35(27-33)53-43-17-6-3-13-36(43)39-16-10-24-52-50(39)53/h3-29H,1-2H3
InChIKeyQEXMLMCYSNKSHT-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.53
Rot. Bonds4

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

2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile (PubChem CID 139507231) has the molecular formula C50H33N5 and a molecular weight of 703.85 g/mol. Its IUPAC name is 2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
PubChem CID139507231
Molecular FormulaC50H33N5
Molecular Weight703.85 g/mol
Exact Mass703.27
IUPAC Name2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C#N
InChIInChI=1S/C50H33N5/c1-31-20-22-46-40(25-31)37-14-4-7-18-44(37)54(46)48-28-34(29-49(42(48)30-51)55-45-19-8-5-15-38(45)41-26-32(2)21-23-47(41)55)33-11-9-12-35(27-33)53-43-17-6-3-13-36(43)39-16-10-24-52-50(39)53/h3-29H,1-2H3
InChIKeyQEXMLMCYSNKSHT-UHFFFAOYSA-N
XLogP12.53
TPSA51.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523682
2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785155
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523680
2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile
CID 167507297
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
2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292741
3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile
CID 146530819
2-(3,9a-dimethyl-1H-carbazol-9-yl)-3,5,6-tris(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 163643448
2,5-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523708
4-(3-cyanophenyl)-2-(3-methylcarbazol-9-yl)-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162180279
9-[3-[3-(20-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574415
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile?
The IUPAC name of 2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile (CID 139507231) is 2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile.
What is the SMILES notation for 2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile?
The canonical SMILES for 2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile is Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C#N.
What is the InChIKey of 2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile?
The InChIKey is QEXMLMCYSNKSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5/c1-31-20-22-46-40(25-31)37-14-4-7-18-44(37)54(46)48-28-34(29-49(42(48)30-51)55-45-19-8-5-15-38(45)41-26-32(2)21-23-47(41)55)33-11-9-12-35(27-33)53-43-17-6-3-13-36(43)39-16-10-24-52-50(39)53/h3-29H,1-2H3.
What are the key properties of 2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile?
2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile has a molecular weight of 703.85 g/mol, XLogP of 12.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 139507231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).