9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile

C43H26N4 — CID 134597965

IUPAC9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)ccc1n2-c1ccccc1
InChIInChI=1S/C43H26N4/c44-27-28-19-22-39-35(25-28)36-26-31(20-23-40(36)45(39)29-11-3-1-4-12-29)47-37-17-9-7-15-32(37)33-21-24-41-42(43(33)47)34-16-8-10-18-38(34)46(41)30-13-5-2-6-14-30/h1-26H
InChIKeyMGSPDQWBHCYZAT-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.85
Rot. Bonds3

About 9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile

9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile (PubChem CID 134597965) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
PubChem CID134597965
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)ccc1n2-c1ccccc1
InChIInChI=1S/C43H26N4/c44-27-28-19-22-39-35(25-28)36-26-31(20-23-40(36)45(39)29-11-3-1-4-12-29)47-37-17-9-7-15-32(37)33-21-24-41-42(43(33)47)34-16-8-10-18-38(34)46(41)30-13-5-2-6-14-30/h1-26H
InChIKeyMGSPDQWBHCYZAT-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

5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
6-(4-cyanophenyl)-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(12),8,10,17(25),18,20,22,26-dodecaene-10-carbonitrile
CID 146180291
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 118543647
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[3-[3-(9-isocyano-5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822760
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]sulfanylbenzonitrile
CID 171844554
3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095
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
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
4-[4-(11,24-diphenyl-11,15,24-triazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaen-15-yl)phenyl]sulfonylbenzonitrile
CID 175631748

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile (CID 134597965) is 9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)ccc1n2-c1ccccc1.
What is the InChIKey of 9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile?
The InChIKey is MGSPDQWBHCYZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c44-27-28-19-22-39-35(25-28)36-26-31(20-23-40(36)45(39)29-11-3-1-4-12-29)47-37-17-9-7-15-32(37)33-21-24-41-42(43(33)47)34-16-8-10-18-38(34)46(41)30-13-5-2-6-14-30/h1-26H.
What are the key properties of 9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile?
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-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 9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 134597965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).