9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile

C50H29N5 — CID 154958615

IUPAC9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)cc2)c1-n1c2ccccc2c2c(C#N)cccc21
InChIInChI=1S/C50H29N5/c51-30-33-12-10-23-45-48(33)39-16-3-8-22-44(39)55(45)50-34(31-52)13-9-18-36(50)32-26-28-35(29-27-32)53-43-21-7-4-17-40(43)49-46(53)24-11-25-47(49)54-41-19-5-1-14-37(41)38-15-2-6-20-42(38)54/h1-29H
InChIKeyQFBNJNKXNJQCRM-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile

9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile (PubChem CID 154958615) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
PubChem CID154958615
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)cc2)c1-n1c2ccccc2c2c(C#N)cccc21
InChIInChI=1S/C50H29N5/c51-30-33-12-10-23-45-48(33)39-16-3-8-22-44(39)55(45)50-34(31-52)13-9-18-36(50)32-26-28-35(29-27-32)53-43-21-7-4-17-40(43)49-46(53)24-11-25-47(49)54-41-19-5-1-14-37(41)38-15-2-6-20-42(38)54/h1-29H
InChIKeyQFBNJNKXNJQCRM-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-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-4-carbonitrile
CID 154958609
9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile
CID 155605095
9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 154958107
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815
9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147223871
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
9-[2-[3-cyano-4-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080172
9-[4-[2-cyano-4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080180
2-carbazol-9-yl-3-[4-(3-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155079640
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile (CID 154958615) is 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile is N#Cc1cccc(-c2ccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)cc2)c1-n1c2ccccc2c2c(C#N)cccc21.
What is the InChIKey of 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile?
The InChIKey is QFBNJNKXNJQCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-33-12-10-23-45-48(33)39-16-3-8-22-44(39)55(45)50-34(31-52)13-9-18-36(50)32-26-28-35(29-27-32)53-43-21-7-4-17-40(43)49-46(53)24-11-25-47(49)54-41-19-5-1-14-37(41)38-15-2-6-20-42(38)54/h1-29H.
What are the key properties of 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile?
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-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-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 154958615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).