12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile

C43H26N4 — CID 134597839

IUPAC12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile
SMILESN#Cc1cccc2c1c1ccc3c(c4ccccc4n3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c1n2-c1ccccc1
InChIInChI=1S/C43H26N4/c44-27-28-12-11-21-38-41(28)35-24-25-39-42(43(35)47(38)30-15-5-2-6-16-30)34-18-8-10-20-37(34)46(39)31-22-23-33-32-17-7-9-19-36(32)45(40(33)26-31)29-13-3-1-4-14-29/h1-26H
InChIKeyADFDIKAUUBHCEM-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.85
Rot. Bonds3

About 12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile

12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile (PubChem CID 134597839) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile.

Molecular Properties

Compound Name12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile
PubChem CID134597839
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile
SMILESN#Cc1cccc2c1c1ccc3c(c4ccccc4n3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c1n2-c1ccccc1
InChIInChI=1S/C43H26N4/c44-27-28-12-11-21-38-41(28)35-24-25-39-42(43(35)47(38)30-15-5-2-6-16-30)34-18-8-10-20-37(34)46(39)31-22-23-33-32-17-7-9-19-36(32)45(40(33)26-31)29-13-3-1-4-14-29/h1-26H
InChIKeyADFDIKAUUBHCEM-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-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
15-(3-cyanophenyl)-6,24-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-dodecaene-8-carbonitrile
CID 146180213
24-(4-cyanophenyl)-6,15-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-dodecaene-8-carbonitrile
CID 146180185
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
CID 134597762
2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
CID 147481564
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598012

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile?
The IUPAC name of 12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile (CID 134597839) is 12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile.
What is the SMILES notation for 12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile?
The canonical SMILES for 12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile is N#Cc1cccc2c1c1ccc3c(c4ccccc4n3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c1n2-c1ccccc1.
What is the InChIKey of 12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile?
The InChIKey is ADFDIKAUUBHCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c44-27-28-12-11-21-38-41(28)35-24-25-39-42(43(35)47(38)30-15-5-2-6-16-30)34-18-8-10-20-37(34)46(39)31-22-23-33-32-17-7-9-19-36(32)45(40(33)26-31)29-13-3-1-4-14-29/h1-26H.
What are the key properties of 12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile?
12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-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 12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile is sourced from PubChem (CID 134597839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).