9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile

C44H28N4 — CID 167280419

IUPAC9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile
SMILESN#CC1=CCCc2c1c1ccccc1n2-c1cccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2C#N)c1
InChIInChI=1S/C44H28N4/c45-27-30-13-10-25-43-44(30)37-18-4-8-24-42(37)47(43)31-14-9-12-29(26-31)32-19-11-20-33(38(32)28-46)34-15-1-5-21-39(34)48-40-22-6-2-16-35(40)36-17-3-7-23-41(36)48/h1-9,11-24,26H,10,25H2
InChIKeyUDHDCXMKCVTMSR-UHFFFAOYSA-N
MW612.74 g/mol
LogP10.79
Rot. Bonds4

About 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile

9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile (PubChem CID 167280419) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile
PubChem CID167280419
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile
SMILESN#CC1=CCCc2c1c1ccccc1n2-c1cccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2C#N)c1
InChIInChI=1S/C44H28N4/c45-27-30-13-10-25-43-44(30)37-18-4-8-24-42(37)47(43)31-14-9-12-29(26-31)32-19-11-20-33(38(32)28-46)34-15-1-5-21-39(34)48-40-22-6-2-16-35(40)36-17-3-7-23-41(36)48/h1-9,11-24,26H,10,25H2
InChIKeyUDHDCXMKCVTMSR-UHFFFAOYSA-N
XLogP10.79
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 155081407
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155080518
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155080249
4-(2-carbazol-9-ylphenyl)-2-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155604943
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-8-isocyanocarbazole-3-carbonitrile
CID 155603610
9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079598
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147223871
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzene-1,3-dicarbonitrile
CID 155081385

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile?
The IUPAC name of 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile (CID 167280419) is 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile.
What is the SMILES notation for 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile?
The canonical SMILES for 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile is N#CC1=CCCc2c1c1ccccc1n2-c1cccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2C#N)c1.
What is the InChIKey of 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile?
The InChIKey is UDHDCXMKCVTMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c45-27-30-13-10-25-43-44(30)37-18-4-8-24-42(37)47(43)31-14-9-12-29(26-31)32-19-11-20-33(38(32)28-46)34-15-1-5-21-39(34)48-40-22-6-2-16-35(40)36-17-3-7-23-41(36)48/h1-9,11-24,26H,10,25H2.
What are the key properties of 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile?
9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile has a molecular weight of 612.74 g/mol, XLogP of 10.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile is sourced from PubChem (CID 167280419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).