2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile

C38H21N3O — CID 121337887

IUPAC2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccc6ccccc6c45)ccc32)nc2ccccc12
InChIInChI=1S/C38H21N3O/c39-22-25-21-36(40-32-14-5-3-9-26(25)32)41-33-15-6-4-11-29(33)31-20-24(16-18-34(31)41)28-12-7-13-30-37-27-10-2-1-8-23(27)17-19-35(37)42-38(28)30/h1-21H
InChIKeySGDGHLZVELRUMQ-UHFFFAOYSA-N
MW535.61 g/mol
LogP9.92
Rot. Bonds2

About 2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile

2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile (PubChem CID 121337887) has the molecular formula C38H21N3O and a molecular weight of 535.61 g/mol. Its IUPAC name is 2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile
PubChem CID121337887
Molecular FormulaC38H21N3O
Molecular Weight535.61 g/mol
Exact Mass535.17
IUPAC Name2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccc6ccccc6c45)ccc32)nc2ccccc12
InChIInChI=1S/C38H21N3O/c39-22-25-21-36(40-32-14-5-3-9-26(25)32)41-33-15-6-4-11-29(33)31-20-24(16-18-34(31)41)28-12-7-13-30-37-27-10-2-1-8-23(27)17-19-35(37)42-38(28)30/h1-21H
InChIKeySGDGHLZVELRUMQ-UHFFFAOYSA-N
XLogP9.92
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
CID 157308011
3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326018
7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 155485428
N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176795783
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
CID 121337844
2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
CID 161057241
7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
CID 121337810
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 146300876
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
CID 138475094
2-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134430112
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile (CID 121337887) is 2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccc6ccccc6c45)ccc32)nc2ccccc12.
What is the InChIKey of 2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile?
The InChIKey is SGDGHLZVELRUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3O/c39-22-25-21-36(40-32-14-5-3-9-26(25)32)41-33-15-6-4-11-29(33)31-20-24(16-18-34(31)41)28-12-7-13-30-37-27-10-2-1-8-23(27)17-19-35(37)42-38(28)30/h1-21H.
What are the key properties of 2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile?
2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile has a molecular weight of 535.61 g/mol, XLogP of 9.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 121337887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).