3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile

C43H26N4 — CID 155131704

IUPAC3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C43H26N4/c44-27-28-26-40(46-35-21-9-4-16-30(35)31-17-5-10-22-36(31)46)43(47-37-23-11-6-18-32(37)33-19-7-12-24-38(33)47)41-34-20-8-13-25-39(34)45(42(28)41)29-14-2-1-3-15-29/h1-26H
InChIKeyJKRWCEFKQOLVLY-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.85
Rot. Bonds3

About 3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile

3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile (PubChem CID 155131704) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile.

Molecular Properties

Compound Name3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
PubChem CID155131704
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C43H26N4/c44-27-28-26-40(46-35-21-9-4-16-30(35)31-17-5-10-22-36(31)46)43(47-37-23-11-6-18-32(37)33-19-7-12-24-38(33)47)41-34-20-8-13-25-39(34)45(42(28)41)29-14-2-1-3-15-29/h1-26H
InChIKeyJKRWCEFKQOLVLY-UHFFFAOYSA-N
XLogP10.85
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile
CID 134597900
4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163573400
2,5-bis(24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-9-yl)benzene-1,4-dicarbonitrile
CID 121328528
2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
CID 155131709
3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
CID 134597706
9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
CID 134597762
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598012
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
7-isocyano-3,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenanthrene-2-carbonitrile
CID 170670745
3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 166572147
4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile
CID 170268509
4-isocyano-2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 153461944

Frequently Asked Questions

What is the IUPAC name of 3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile?
The IUPAC name of 3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile (CID 155131704) is 3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile.
What is the SMILES notation for 3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile?
The canonical SMILES for 3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile?
The InChIKey is JKRWCEFKQOLVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c44-27-28-26-40(46-35-21-9-4-16-30(35)31-17-5-10-22-36(31)46)43(47-37-23-11-6-18-32(37)33-19-7-12-24-38(33)47)41-34-20-8-13-25-39(34)45(42(28)41)29-14-2-1-3-15-29/h1-26H.
What are the key properties of 3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile?
3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile has a molecular weight of 598.71 g/mol, XLogP of 10.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile is sourced from PubChem (CID 155131704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).