6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile

C43H26N2O2 — CID 155160115

IUPAC6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile
SMILESN#CC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5oc6c(-c7cccc8c7oc7ccccc78)cccc6c5c4)cc23)CC1
InChIInChI=1S/C43H26N2O2/c44-25-26-16-19-38-35(22-26)36-23-27(17-20-39(36)45(38)29-8-2-1-3-9-29)28-18-21-41-37(24-28)34-14-7-13-33(43(34)47-41)32-12-6-11-31-30-10-4-5-15-40(30)46-42(31)32/h1-15,17-18,20-24H,16,19H2
InChIKeyIFQKJLSKPKVXPN-UHFFFAOYSA-N
MW602.69 g/mol
LogP11.62
Rot. Bonds3

About 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile

6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile (PubChem CID 155160115) has the molecular formula C43H26N2O2 and a molecular weight of 602.69 g/mol. Its IUPAC name is 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile
PubChem CID155160115
Molecular FormulaC43H26N2O2
Molecular Weight602.69 g/mol
Exact Mass602.20
IUPAC Name6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile
SMILESN#CC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5oc6c(-c7cccc8c7oc7ccccc78)cccc6c5c4)cc23)CC1
InChIInChI=1S/C43H26N2O2/c44-25-26-16-19-38-35(22-26)36-23-27(17-20-39(36)45(38)29-8-2-1-3-9-29)28-18-21-41-37(24-28)34-14-7-13-33(43(34)47-41)32-12-6-11-31-30-10-4-5-15-40(30)46-42(31)32/h1-15,17-18,20-24H,16,19H2
InChIKeyIFQKJLSKPKVXPN-UHFFFAOYSA-N
XLogP11.62
TPSA55.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile 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

6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 126753261
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[3-[4-(7-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile
CID 129087220
3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 170203450
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
2-(6-dibenzofuran-2-yl-9-phenylcarbazol-4-yl)benzonitrile
CID 148667920
3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137466609

Frequently Asked Questions

What is the IUPAC name of 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile?
The IUPAC name of 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile (CID 155160115) is 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile.
What is the SMILES notation for 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile?
The canonical SMILES for 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile is N#CC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5oc6c(-c7cccc8c7oc7ccccc78)cccc6c5c4)cc23)CC1.
What is the InChIKey of 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile?
The InChIKey is IFQKJLSKPKVXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O2/c44-25-26-16-19-38-35(22-26)36-23-27(17-20-39(36)45(38)29-8-2-1-3-9-29)28-18-21-41-37(24-28)34-14-7-13-33(43(34)47-41)32-12-6-11-31-30-10-4-5-15-40(30)46-42(31)32/h1-15,17-18,20-24H,16,19H2.
What are the key properties of 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile?
6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile has a molecular weight of 602.69 g/mol, XLogP of 11.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile is sourced from PubChem (CID 155160115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).