9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile

C44H26N4O — CID 126596506

IUPAC9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccc3c(c2)c2c(n3-c3ccccc3)-c3c(oc4ccccc34)CC2)c1
InChIInChI=1S/C44H26N4O/c45-25-27-14-18-38(48-37-12-6-4-10-31(37)35-23-28(26-46)15-19-40(35)48)34(22-27)29-16-20-39-36(24-29)32-17-21-42-43(33-11-5-7-13-41(33)49-42)44(32)47(39)30-8-2-1-3-9-30/h1-16,18-20,22-24H,17,21H2
InChIKeyHFNYSAKMBRSOAH-UHFFFAOYSA-N
MW626.72 g/mol
LogP10.65
Rot. Bonds3

About 9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile

9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 126596506) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
PubChem CID126596506
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccc3c(c2)c2c(n3-c3ccccc3)-c3c(oc4ccccc34)CC2)c1
InChIInChI=1S/C44H26N4O/c45-25-27-14-18-38(48-37-12-6-4-10-31(37)35-23-28(26-46)15-19-40(35)48)34(22-27)29-16-20-39-36(24-29)32-17-21-42-43(33-11-5-7-13-41(33)49-42)44(32)47(39)30-8-2-1-3-9-30/h1-16,18-20,22-24H,17,21H2
InChIKeyHFNYSAKMBRSOAH-UHFFFAOYSA-N
XLogP10.65
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-methyl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 146594001
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 126582483
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744010
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155233026
4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile
CID 126577754
9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 126577577

Frequently Asked Questions

What is the IUPAC name of 9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile (CID 126596506) is 9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccc3c(c2)c2c(n3-c3ccccc3)-c3c(oc4ccccc34)CC2)c1.
What is the InChIKey of 9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is HFNYSAKMBRSOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c45-25-27-14-18-38(48-37-12-6-4-10-31(37)35-23-28(26-46)15-19-40(35)48)34(22-27)29-16-20-39-36(24-29)32-17-21-42-43(33-11-5-7-13-41(33)49-42)44(32)47(39)30-8-2-1-3-9-30/h1-16,18-20,22-24H,17,21H2.
What are the key properties of 9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile?
9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile has a molecular weight of 626.72 g/mol, XLogP of 10.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-cyano-2-(12-phenyl-6,7-dihydro-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 126596506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).