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

C37H23N3 — CID 118543647

IUPAC4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C37H23N3/c38-24-25-14-16-26(17-15-25)27-18-20-29(21-19-27)40-33-12-6-4-10-30(33)31-22-23-35-36(37(31)40)32-11-5-7-13-34(32)39(35)28-8-2-1-3-9-28/h1-23H
InChIKeyLISLJZPTXSXZGR-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.42
Rot. Bonds3

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

4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile (PubChem CID 118543647) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
PubChem CID118543647
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C37H23N3/c38-24-25-14-16-26(17-15-25)27-18-20-29(21-19-27)40-33-12-6-4-10-30(33)31-22-23-35-36(37(31)40)32-11-5-7-13-34(32)39(35)28-8-2-1-3-9-28/h1-23H
InChIKeyLISLJZPTXSXZGR-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-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]sulfanylbenzonitrile
CID 171844554
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
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
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
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
4-[4-(15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaen-24-yl)phenyl]benzonitrile
CID 126679075
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
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 4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
The IUPAC name of 4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile (CID 118543647) is 4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1.
What is the InChIKey of 4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
The InChIKey is LISLJZPTXSXZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c38-24-25-14-16-26(17-15-25)27-18-20-29(21-19-27)40-33-12-6-4-10-30(33)31-22-23-35-36(37(31)40)32-11-5-7-13-34(32)39(35)28-8-2-1-3-9-28/h1-23H.
What are the key properties of 4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]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-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile is sourced from PubChem (CID 118543647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).