6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile

C39H24N2 — CID 145009546

IUPAC6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile
SMILESN#Cc1ccc2cc3cc(-n4c5c(-c6ccccc6)cccc5c5cccc(-c6ccccc6)c54)ccc3cc2c1
InChIInChI=1S/C39H24N2/c40-25-26-17-18-29-23-32-24-33(20-19-30(32)22-31(29)21-26)41-38-34(27-9-3-1-4-10-27)13-7-15-36(38)37-16-8-14-35(39(37)41)28-11-5-2-6-12-28/h1-24H
InChIKeyZWPLYCDORLAMNO-UHFFFAOYSA-N
MW520.64 g/mol
LogP10.30
Rot. Bonds3

About 6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile

6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile (PubChem CID 145009546) has the molecular formula C39H24N2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile.

Molecular Properties

Compound Name6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile
PubChem CID145009546
Molecular FormulaC39H24N2
Molecular Weight520.64 g/mol
Exact Mass520.19
IUPAC Name6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile
SMILESN#Cc1ccc2cc3cc(-n4c5c(-c6ccccc6)cccc5c5cccc(-c6ccccc6)c54)ccc3cc2c1
InChIInChI=1S/C39H24N2/c40-25-26-17-18-29-23-32-24-33(20-19-30(32)22-31(29)21-26)41-38-34(27-9-3-1-4-10-27)13-7-15-36(38)37-16-8-14-35(39(37)41)28-11-5-2-6-12-28/h1-24H
InChIKeyZWPLYCDORLAMNO-UHFFFAOYSA-N
XLogP10.30
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369918
7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile
CID 142488033
3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 170268550
8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile
CID 139351890
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
anthracene-2,6-dicarbonitrile
CID 89012264
2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile
CID 145009443
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357809
4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 138566326
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154

Frequently Asked Questions

What is the IUPAC name of 6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile?
The IUPAC name of 6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile (CID 145009546) is 6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile.
What is the SMILES notation for 6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile?
The canonical SMILES for 6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile is N#Cc1ccc2cc3cc(-n4c5c(-c6ccccc6)cccc5c5cccc(-c6ccccc6)c54)ccc3cc2c1.
What is the InChIKey of 6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile?
The InChIKey is ZWPLYCDORLAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2/c40-25-26-17-18-29-23-32-24-33(20-19-30(32)22-31(29)21-26)41-38-34(27-9-3-1-4-10-27)13-7-15-36(38)37-16-8-14-35(39(37)41)28-11-5-2-6-12-28/h1-24H.
What are the key properties of 6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile?
6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile has a molecular weight of 520.64 g/mol, XLogP of 10.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,8-diphenylcarbazol-9-yl)anthracene-2-carbonitrile is sourced from PubChem (CID 145009546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).