9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile

C43H24N2O2 — CID 147906665

IUPAC9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(-c3ccccc3)ccc(-c3cccc4oc5ccccc5c34)c12
InChIInChI=1S/C43H24N2O2/c44-25-26-20-23-36-34(24-26)29-12-4-6-16-35(29)45(36)37-17-8-15-33-41-31(22-21-28(43(41)47-42(33)37)27-10-2-1-3-11-27)30-14-9-19-39-40(30)32-13-5-7-18-38(32)46-39/h1-24H
InChIKeyIFICEXYZZDZRBF-UHFFFAOYSA-N
MW600.68 g/mol
LogP11.79
Rot. Bonds3

About 9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile

9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile (PubChem CID 147906665) has the molecular formula C43H24N2O2 and a molecular weight of 600.68 g/mol. Its IUPAC name is 9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
PubChem CID147906665
Molecular FormulaC43H24N2O2
Molecular Weight600.68 g/mol
Exact Mass600.18
IUPAC Name9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(-c3ccccc3)ccc(-c3cccc4oc5ccccc5c34)c12
InChIInChI=1S/C43H24N2O2/c44-25-26-20-23-36-34(24-26)29-12-4-6-16-35(29)45(36)37-17-8-15-33-41-31(22-21-28(43(41)47-42(33)37)27-10-2-1-3-11-27)30-14-9-19-39-40(30)32-13-5-7-18-38(32)46-39/h1-24H
InChIKeyIFICEXYZZDZRBF-UHFFFAOYSA-N
XLogP11.79
TPSA55.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)-2-phenylcarbazole
CID 148764046
9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147134992
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-(9-dibenzofuran-4-yl-6-phenyldibenzofuran-4-yl)carbazole
CID 147826287
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149026913
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155233026
9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile
CID 126754808
6-carbazol-9-yl-2-dibenzofuran-1-yldibenzofuran-4-carbonitrile
CID 153148571
9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 153204329
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile (CID 147906665) is 9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(-c3ccccc3)ccc(-c3cccc4oc5ccccc5c34)c12.
What is the InChIKey of 9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile?
The InChIKey is IFICEXYZZDZRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O2/c44-25-26-20-23-36-34(24-26)29-12-4-6-16-35(29)45(36)37-17-8-15-33-41-31(22-21-28(43(41)47-42(33)37)27-10-2-1-3-11-27)30-14-9-19-39-40(30)32-13-5-7-18-38(32)46-39/h1-24H.
What are the key properties of 9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile?
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile has a molecular weight of 600.68 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 147906665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).