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

C37H23N3 — CID 170050483

IUPAC4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C37H23N3/c38-24-27-20-19-26(25-11-3-1-4-12-25)23-35(27)40-32-17-9-7-15-29(32)30-21-22-34-36(37(30)40)31-16-8-10-18-33(31)39(34)28-13-5-2-6-14-28/h1-23H
InChIKeyGZPVCXVWCHRCQG-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.42
Rot. Bonds3

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

4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 170050483) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID170050483
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C37H23N3/c38-24-27-20-19-26(25-11-3-1-4-12-25)23-35(27)40-32-17-9-7-15-29(32)30-21-22-34-36(37(30)40)31-16-8-10-18-33(31)39(34)28-13-5-2-6-14-28/h1-23H
InChIKeyGZPVCXVWCHRCQG-UHFFFAOYSA-N
XLogP9.42
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,6-diphenylpyrimidin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 177100715
4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile
CID 170268509
4-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 146180148
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-4-(3-phenylphenyl)benzonitrile
CID 170051066
4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664969
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 118543647
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163795188
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 170050483) is 4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is N#Cc1ccc(-c2ccccc2)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.
What is the InChIKey of 4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is GZPVCXVWCHRCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c38-24-27-20-19-26(25-11-3-1-4-12-25)23-35(27)40-32-17-9-7-15-29(32)30-21-22-34-36(37(30)40)31-16-8-10-18-33(31)39(34)28-13-5-2-6-14-28/h1-23H.
What are the key properties of 4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 509.61 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 170050483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).