2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

C55H34N4O — CID 165007567

IUPAC2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1c(-c2ccccc2N2c3c(ccc4c3oc3ccccc34)C3C=CC=CC32)cccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C55H34N4O/c56-33-44-35(36-17-4-9-23-45(36)59-47-25-11-6-19-38(47)41-29-30-42-39-20-8-13-28-51(39)60-55(42)54(41)59)22-14-27-49(44)58-46-24-10-5-18-37(46)40-31-32-50-52(53(40)58)43-21-7-12-26-48(43)57(50)34-15-2-1-3-16-34/h1-32,38,47H
InChIKeyJEVZFYZYGICOQS-UHFFFAOYSA-N
MW766.90 g/mol
LogP14.05
Rot. Bonds4

About 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 165007567) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID165007567
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1c(-c2ccccc2N2c3c(ccc4c3oc3ccccc34)C3C=CC=CC32)cccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C55H34N4O/c56-33-44-35(36-17-4-9-23-45(36)59-47-25-11-6-19-38(47)41-29-30-42-39-20-8-13-28-51(39)60-55(42)54(41)59)22-14-27-49(44)58-46-24-10-5-18-37(46)40-31-32-50-52(53(40)58)43-21-7-12-26-48(43)57(50)34-15-2-1-3-16-34/h1-32,38,47H
InChIKeyJEVZFYZYGICOQS-UHFFFAOYSA-N
XLogP14.05
TPSA50.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679111
12-dibenzofuran-4-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163757322
12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole
CID 167030154
12-dibenzofuran-1-yl-5-phenylindolo[3,2-c]carbazole
CID 167029676
3,6-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 121324538
5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 161013324
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659
9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole
CID 155237382
5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-cyanophenyl]-4-carbazol-9-ylbenzene-1,2,3-tricarbonitrile
CID 129299852
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
3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile
CID 129290857

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 165007567) is 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is N#Cc1c(-c2ccccc2N2c3c(ccc4c3oc3ccccc34)C3C=CC=CC32)cccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.
What is the InChIKey of 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is JEVZFYZYGICOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c56-33-44-35(36-17-4-9-23-45(36)59-47-25-11-6-19-38(47)41-29-30-42-39-20-8-13-28-51(39)60-55(42)54(41)59)22-14-27-49(44)58-46-24-10-5-18-37(46)40-31-32-50-52(53(40)58)43-21-7-12-26-48(43)57(50)34-15-2-1-3-16-34/h1-32,38,47H.
What are the key properties of 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 766.90 g/mol, XLogP of 14.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 165007567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).