4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile

C42H26N4 — CID 146543071

IUPAC4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)c2)ccn1
InChIInChI=1S/C42H26N4/c43-27-32-25-31(22-23-44-32)29-11-8-10-28(24-29)30-12-9-15-34(26-30)45-39-19-7-5-17-37(39)41-40(45)21-20-36-35-16-4-6-18-38(35)46(42(36)41)33-13-2-1-3-14-33/h1-26H
InChIKeyLZEJLGSBPZMNIE-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.48
Rot. Bonds4

About 4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile

4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile (PubChem CID 146543071) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
PubChem CID146543071
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)c2)ccn1
InChIInChI=1S/C42H26N4/c43-27-32-25-31(22-23-44-32)29-11-8-10-28(24-29)30-12-9-15-34(26-30)45-39-19-7-5-17-37(39)41-40(45)21-20-36-35-16-4-6-18-38(35)46(42(36)41)33-13-2-1-3-14-33/h1-26H
InChIKeyLZEJLGSBPZMNIE-UHFFFAOYSA-N
XLogP10.48
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543438
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543067
3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542904
4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397406
4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543016
4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543546
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile (CID 146543071) is 4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile is N#Cc1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)c2)ccn1.
What is the InChIKey of 4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The InChIKey is LZEJLGSBPZMNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c43-27-32-25-31(22-23-44-32)29-11-8-10-28(24-29)30-12-9-15-34(26-30)45-39-19-7-5-17-37(39)41-40(45)21-20-36-35-16-4-6-18-38(35)46(42(36)41)33-13-2-1-3-14-33/h1-26H.
What are the key properties of 4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile has a molecular weight of 586.70 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 146543071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).