9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile

C50H29N5 — CID 148661085

IUPAC9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(-c2cccc(-n3c4ccccc4c4ccc(C#N)cc43)c2)c1
InChIInChI=1S/C50H29N5/c51-30-32-24-26-47(42(27-32)34-11-9-12-35(29-34)53-43-18-5-1-15-38(43)40-25-23-33(31-52)28-49(40)53)55-46-21-8-4-16-39(46)41-17-10-22-48(50(41)55)54-44-19-6-2-13-36(44)37-14-3-7-20-45(37)54/h1-29H
InChIKeyNNULGCPBUZZTCE-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile

9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile (PubChem CID 148661085) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
PubChem CID148661085
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(-c2cccc(-n3c4ccccc4c4ccc(C#N)cc43)c2)c1
InChIInChI=1S/C50H29N5/c51-30-32-24-26-47(42(27-32)34-11-9-12-35(29-34)53-43-18-5-1-15-38(43)40-25-23-33(31-52)28-49(40)53)55-46-21-8-4-16-39(46)41-17-10-22-48(50(41)55)54-44-19-6-2-13-36(44)37-14-3-7-20-45(37)54/h1-29H
InChIKeyNNULGCPBUZZTCE-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-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155079719
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354
9-[3-[2-(2-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081672
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
9-[2-[3-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081646
9-[3-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080179
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081621
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958564
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155080249
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile (CID 148661085) is 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(-c2cccc(-n3c4ccccc4c4ccc(C#N)cc43)c2)c1.
What is the InChIKey of 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile?
The InChIKey is NNULGCPBUZZTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-24-26-47(42(27-32)34-11-9-12-35(29-34)53-43-18-5-1-15-38(43)40-25-23-33(31-52)28-49(40)53)55-46-21-8-4-16-39(46)41-17-10-22-48(50(41)55)54-44-19-6-2-13-36(44)37-14-3-7-20-45(37)54/h1-29H.
What are the key properties of 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile?
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-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-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 148661085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).