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

C36H22N4 — CID 146543110

IUPAC3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C36H22N4/c37-22-25-19-20-38-23-31(25)24-9-8-12-27(21-24)39-33-16-7-5-14-30(33)35-34(39)18-17-29-28-13-4-6-15-32(28)40(36(29)35)26-10-2-1-3-11-26/h1-21,23H
InChIKeyURSKUKBSACGJGM-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.81
Rot. Bonds3

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

3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile (PubChem CID 146543110) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
PubChem CID146543110
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C36H22N4/c37-22-25-19-20-38-23-31(25)24-9-8-12-27(21-24)39-33-16-7-5-14-30(33)35-34(39)18-17-29-28-13-4-6-15-32(28)40(36(29)35)26-10-2-1-3-11-26/h1-21,23H
InChIKeyURSKUKBSACGJGM-UHFFFAOYSA-N
XLogP8.81
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542904
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543067
3-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543439
9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574439
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 139339667
2-(5,12-diphenylindolo[3,2-c]carbazol-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582346
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542671
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543071

Frequently Asked Questions

What is the IUPAC name of 3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile?
The IUPAC name of 3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile (CID 146543110) is 3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile is N#Cc1ccncc1-c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile?
The InChIKey is URSKUKBSACGJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c37-22-25-19-20-38-23-31(25)24-9-8-12-27(21-24)39-33-16-7-5-14-30(33)35-34(39)18-17-29-28-13-4-6-15-32(28)40(36(29)35)26-10-2-1-3-11-26/h1-21,23H.
What are the key properties of 3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile?
3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile has a molecular weight of 510.60 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 146543110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).