9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile

C50H29N5 — CID 154958337

IUPAC9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1c(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C50H29N5/c51-30-32-14-11-21-38-37-18-4-9-25-44(37)55(50(32)38)43-24-8-1-15-34(43)33-20-12-27-46(40(33)31-52)54-45-26-10-5-19-39(45)49-47(28-13-29-48(49)54)53-41-22-6-2-16-35(41)36-17-3-7-23-42(36)53/h1-29H
InChIKeyVIXZFPNKNSEEFH-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile

9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 154958337) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
PubChem CID154958337
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1c(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C50H29N5/c51-30-32-14-11-21-38-37-18-4-9-25-44(37)55(50(32)38)43-24-8-1-15-34(43)33-20-12-27-46(40(33)31-52)54-45-26-10-5-19-39(45)49-47(28-13-29-48(49)54)53-41-22-6-2-16-35(41)36-17-3-7-23-42(36)53/h1-29H
InChIKeyVIXZFPNKNSEEFH-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-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 148897475
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336
9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147223871
9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155080518
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 148501028
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958564
2-[2-(2-carbazol-9-ylphenyl)phenyl]-6-(1-isocyanocarbazol-9-yl)benzonitrile
CID 155604997
2-[12-(2-cyanophenyl)indolo[3,2-c]carbazol-5-yl]benzonitrile
CID 130352969
9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[4-cyano-3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 161276657
9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole
CID 177114986

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile (CID 154958337) is 9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile is N#Cc1c(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of 9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is VIXZFPNKNSEEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-14-11-21-38-37-18-4-9-25-44(37)55(50(32)38)43-24-8-1-15-34(43)33-20-12-27-46(40(33)31-52)54-45-26-10-5-19-39(45)49-47(28-13-29-48(49)54)53-41-22-6-2-16-35(41)36-17-3-7-23-42(36)53/h1-29H.
What are the key properties of 9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-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-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 154958337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).