9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile

C50H29N5 — CID 153117402

IUPAC9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4cccc(C#N)c43)cc2)cc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C50H29N5/c51-30-34-21-20-33(32-22-24-36(25-23-32)54-46-18-7-3-13-40(46)42-15-9-10-35(31-52)50(42)54)28-49(34)55-47-19-8-4-14-41(47)43-29-37(26-27-48(43)55)53-44-16-5-1-11-38(44)39-12-2-6-17-45(39)53/h1-29H
InChIKeyVUDZXKVFYGBSGQ-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile

9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 153117402) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
PubChem CID153117402
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4cccc(C#N)c43)cc2)cc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C50H29N5/c51-30-34-21-20-33(32-22-24-36(25-23-32)54-46-18-7-3-13-40(46)42-15-9-10-35(31-52)50(42)54)28-49(34)55-47-19-8-4-14-41(47)43-29-37(26-27-48(43)55)53-44-16-5-1-11-38(44)39-12-2-6-17-45(39)53/h1-29H
InChIKeyVUDZXKVFYGBSGQ-UHFFFAOYSA-N
XLogP12.39
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.82
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
9-[5-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile
CID 152797352
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
9-[2-cyano-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155603815
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155081310
2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]-4-triphenylgermylbenzonitrile
CID 169051962
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147442900
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile (CID 153117402) is 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile is N#Cc1ccc(-c2ccc(-n3c4ccccc4c4cccc(C#N)c43)cc2)cc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is VUDZXKVFYGBSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-34-21-20-33(32-22-24-36(25-23-32)54-46-18-7-3-13-40(46)42-15-9-10-35(31-52)50(42)54)28-49(34)55-47-19-8-4-14-41(47)43-29-37(26-27-48(43)55)53-44-16-5-1-11-38(44)39-12-2-6-17-45(39)53/h1-29H.
What are the key properties of 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile?
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile has a molecular weight of 699.82 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 153117402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).