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

C50H29N5 — CID 154958564

IUPAC9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc(-c4ccccc4-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)c3C#N)c2c1
InChIInChI=1S/C50H29N5/c51-30-32-27-28-39-37-16-4-8-22-44(37)54(49(39)29-32)47-25-11-18-33(41(47)31-52)34-13-1-9-23-45(34)55-46-24-10-5-17-38(46)40-19-12-26-48(50(40)55)53-42-20-6-2-14-35(42)36-15-3-7-21-43(36)53/h1-29H
InChIKeyFPZLVLBCXONJQZ-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

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

9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile (PubChem CID 154958564) 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)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
PubChem CID154958564
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc(-c4ccccc4-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)c3C#N)c2c1
InChIInChI=1S/C50H29N5/c51-30-32-27-28-39-37-16-4-8-22-44(37)54(49(39)29-32)47-25-11-18-33(41(47)31-52)34-13-1-9-23-45(34)55-46-24-10-5-17-38(46)40-19-12-26-48(50(40)55)53-42-20-6-2-14-35(42)36-15-3-7-21-43(36)53/h1-29H
InChIKeyFPZLVLBCXONJQZ-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-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354
9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081146
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958355
9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 154958508
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 148661085
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958136
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 155081299
9-[4-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079498
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829
5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 145345087
9-[2-[4-(3-carbazol-9-yl-2-cyanophenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080288
3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile (CID 154958564) is 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cccc(-c4ccccc4-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)c3C#N)c2c1.
What is the InChIKey of 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile?
The InChIKey is FPZLVLBCXONJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-27-28-39-37-16-4-8-22-44(37)54(49(39)29-32)47-25-11-18-33(41(47)31-52)34-13-1-9-23-45(34)55-46-24-10-5-17-38(46)40-19-12-26-48(50(40)55)53-42-20-6-2-14-35(42)36-15-3-7-21-43(36)53/h1-29H.
What are the key properties of 9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile?
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]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)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 154958564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).