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

C50H29N5 — CID 147442900

IUPAC9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4c(C#N)cccc43)cc2)ccc1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C50H29N5/c51-30-34-11-9-21-47-49(34)41-15-4-8-20-46(41)53(47)36-26-23-32(24-27-36)33-25-28-42(35(29-33)31-52)55-45-19-7-3-14-39(45)40-16-10-22-48(50(40)55)54-43-17-5-1-12-37(43)38-13-2-6-18-44(38)54/h1-29H
InChIKeyDWOFFSKTZHVIPT-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

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

9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile (PubChem CID 147442900) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
PubChem CID147442900
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4c(C#N)cccc43)cc2)ccc1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C50H29N5/c51-30-34-11-9-21-47-49(34)41-15-4-8-20-46(41)53(47)36-26-23-32(24-27-36)33-25-28-42(35(29-33)31-52)55-45-19-7-3-14-39(45)40-16-10-22-48(50(40)55)54-43-17-5-1-12-37(43)38-13-2-6-18-44(38)54/h1-29H
InChIKeyDWOFFSKTZHVIPT-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-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974
9-[2-cyano-4-[4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081622
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815
9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 153117402
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155081310
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-4-carbonitrile
CID 154958609
9-[2-[2-cyano-5-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080052

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile (CID 147442900) is 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4c(C#N)cccc43)cc2)ccc1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.
What is the InChIKey of 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The InChIKey is DWOFFSKTZHVIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-34-11-9-21-47-49(34)41-15-4-8-20-46(41)53(47)36-26-23-32(24-27-36)33-25-28-42(35(29-33)31-52)55-45-19-7-3-14-39(45)40-16-10-22-48(50(40)55)54-43-17-5-1-12-37(43)38-13-2-6-18-44(38)54/h1-29H.
What are the key properties of 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile?
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]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-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 147442900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).