7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile

C50H29N5 — CID 154958797

IUPAC7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-n2c3ccc(C#N)cc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-18-26-48-43(27-32)42-25-23-36(54-46-15-7-3-11-40(46)41-12-4-8-16-47(41)54)29-50(42)55(48)49-28-33(31-52)17-24-37(49)34-19-21-35(22-20-34)53-44-13-5-1-9-38(44)39-10-2-6-14-45(39)53/h1-29H
InChIKeyHLHQMVQYUXRSLP-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile

7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 154958797) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
PubChem CID154958797
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-n2c3ccc(C#N)cc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-18-26-48-43(27-32)42-25-23-36(54-46-15-7-3-11-40(46)41-12-4-8-16-47(41)54)29-50(42)55(48)49-28-33(31-52)17-24-37(49)34-19-21-35(22-20-34)53-44-13-5-1-9-38(44)39-10-2-6-14-45(39)53/h1-29H
InChIKeyHLHQMVQYUXRSLP-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-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230
9-[5-cyano-2-[3-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155079936
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-[9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 149264127
9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532
9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080699
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile (CID 154958797) is 7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile is N#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-n2c3ccc(C#N)cc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c1.
What is the InChIKey of 7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is HLHQMVQYUXRSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-18-26-48-43(27-32)42-25-23-36(54-46-15-7-3-11-40(46)41-12-4-8-16-47(41)54)29-50(42)55(48)49-28-33(31-52)17-24-37(49)34-19-21-35(22-20-34)53-44-13-5-1-9-38(44)39-10-2-6-14-45(39)53/h1-29H.
What are the key properties of 7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile?
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]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 7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).