6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile

C45H27N3 — CID 155369918

IUPAC6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
SMILESN#Cc1ccc2ccc3ccc(-n4c5ccccc5c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc54)cc3c2c1
InChIInChI=1S/C45H27N3/c46-28-29-17-18-30-19-20-31-21-23-34(27-40(31)39(30)25-29)47-42-15-6-5-12-37(42)41-26-32(22-24-44(41)47)35-13-8-14-38-36-11-4-7-16-43(36)48(45(35)38)33-9-2-1-3-10-33/h1-27H
InChIKeyUHKUBOKQVUZRQT-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.73
Rot. Bonds3

About 6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile

6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile (PubChem CID 155369918) has the molecular formula C45H27N3 and a molecular weight of 609.73 g/mol. Its IUPAC name is 6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
PubChem CID155369918
Molecular FormulaC45H27N3
Molecular Weight609.73 g/mol
Exact Mass609.22
IUPAC Name6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
SMILESN#Cc1ccc2ccc3ccc(-n4c5ccccc5c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc54)cc3c2c1
InChIInChI=1S/C45H27N3/c46-28-29-17-18-30-19-20-31-21-23-34(27-40(31)39(30)25-29)47-42-15-6-5-12-37(42)41-26-32(22-24-44(41)47)35-13-8-14-38-36-11-4-7-16-43(36)48(45(35)38)33-9-2-1-3-10-33/h1-27H
InChIKeyUHKUBOKQVUZRQT-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

8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile
CID 139351890
6-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369921
2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile
CID 145009443
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile
CID 150022138
4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 162198701
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
8-[9-(3-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole-3-carbonitrile
CID 140759896
9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile
CID 139351852
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456

Frequently Asked Questions

What is the IUPAC name of 6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
The IUPAC name of 6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile (CID 155369918) is 6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile.
What is the SMILES notation for 6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
The canonical SMILES for 6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile is N#Cc1ccc2ccc3ccc(-n4c5ccccc5c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc54)cc3c2c1.
What is the InChIKey of 6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
The InChIKey is UHKUBOKQVUZRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3/c46-28-29-17-18-30-19-20-31-21-23-34(27-40(31)39(30)25-29)47-42-15-6-5-12-37(42)41-26-32(22-24-44(41)47)35-13-8-14-38-36-11-4-7-16-43(36)48(45(35)38)33-9-2-1-3-10-33/h1-27H.
What are the key properties of 6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
6-[3-(9-phenylcarbazol-1-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 6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile is sourced from PubChem (CID 155369918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).