9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile

C50H29N5 — CID 147841230

IUPAC9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)c1
InChIInChI=1S/C50H29N5/c51-30-32-17-25-48(42(27-32)34-19-21-35(22-20-34)53-46-15-7-4-12-40(46)43-28-33(31-52)18-26-49(43)53)55-47-16-8-3-11-39(47)41-24-23-36(29-50(41)55)54-44-13-5-1-9-37(44)38-10-2-6-14-45(38)54/h1-29H
InChIKeyHSZZAISNAGJYKG-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile

9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 147841230) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
PubChem CID147841230
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)c1
InChIInChI=1S/C50H29N5/c51-30-32-17-25-48(42(27-32)34-19-21-35(22-20-34)53-46-15-7-4-12-40(46)43-28-33(31-52)18-26-49(43)53)55-47-16-8-3-11-39(47)41-24-23-36(29-50(41)55)54-44-13-5-1-9-37(44)38-10-2-6-14-45(38)54/h1-29H
InChIKeyHSZZAISNAGJYKG-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-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
3-carbazol-9-yl-9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazole-2-carbonitrile
CID 154958579
9-[9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 147828212
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155079719
2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile
CID 155080419
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081565
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile (CID 147841230) is 9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)c1.
What is the InChIKey of 9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is HSZZAISNAGJYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-17-25-48(42(27-32)34-19-21-35(22-20-34)53-46-15-7-4-12-40(46)43-28-33(31-52)18-26-49(43)53)55-47-16-8-3-11-39(47)41-24-23-36(29-50(41)55)54-44-13-5-1-9-37(44)38-10-2-6-14-45(38)54/h1-29H.
What are the key properties of 9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile?
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-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-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 147841230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).