9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile

C45H27N3 — CID 140916273

IUPAC9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
SMILESN#Cc1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)c3ccccc3c2c1
InChIInChI=1S/C45H27N3/c46-28-29-18-19-32-27-45(35-13-5-4-12-34(35)39(32)24-29)48-42-17-9-7-15-37(42)40-25-30(21-23-43(40)48)31-20-22-38-36-14-6-8-16-41(36)47(44(38)26-31)33-10-2-1-3-11-33/h1-27H
InChIKeySWRCVFPDTHKJBP-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.73
Rot. Bonds3

About 9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile

9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile (PubChem CID 140916273) has the molecular formula C45H27N3 and a molecular weight of 609.73 g/mol. Its IUPAC name is 9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile.

Molecular Properties

Compound Name9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
PubChem CID140916273
Molecular FormulaC45H27N3
Molecular Weight609.73 g/mol
Exact Mass609.22
IUPAC Name9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
SMILESN#Cc1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)c3ccccc3c2c1
InChIInChI=1S/C45H27N3/c46-28-29-18-19-32-27-45(35-13-5-4-12-34(35)39(32)24-29)48-42-17-9-7-15-37(42)40-25-30(21-23-43(40)48)31-20-22-38-36-14-6-8-16-41(36)47(44(38)26-31)33-10-2-1-3-11-33/h1-27H
InChIKeySWRCVFPDTHKJBP-UHFFFAOYSA-N
XLogP11.73
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
2-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;2-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-2-yl)-9-phenylcarbazole
CID 165003485
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
2-methyl-6-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;2-methyl-7-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;6-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole-3-carbonitrile
CID 160584678
9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole
CID 134507293
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325
2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile
CID 162155580
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
The IUPAC name of 9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile (CID 140916273) is 9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile.
What is the SMILES notation for 9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
The canonical SMILES for 9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile is N#Cc1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)c3ccccc3c2c1.
What is the InChIKey of 9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
The InChIKey is SWRCVFPDTHKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3/c46-28-29-18-19-32-27-45(35-13-5-4-12-34(35)39(32)24-29)48-42-17-9-7-15-37(42)40-25-30(21-23-43(40)48)31-20-22-38-36-14-6-8-16-41(36)47(44(38)26-31)33-10-2-1-3-11-33/h1-27H.
What are the key properties of 9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile has a molecular weight of 609.73 g/mol, XLogP of 11.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile is sourced from PubChem (CID 140916273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).