6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine

C38H24N4 — CID 118332120

IUPAC6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine
SMILESc1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1
InChIInChI=1S/C38H24N4/c1-2-9-31-25(6-1)12-13-33-37(31)32-10-3-4-11-34(32)42-38(33)29-8-5-7-28(22-29)30-23-35(26-14-18-39-19-15-26)41-36(24-30)27-16-20-40-21-17-27/h1-24H
InChIKeyBRPRGSBSZUIUBE-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

About 6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine

6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine (PubChem CID 118332120) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine
PubChem CID118332120
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine
SMILESc1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1
InChIInChI=1S/C38H24N4/c1-2-9-31-25(6-1)12-13-33-37(31)32-10-3-4-11-34(32)42-38(33)29-8-5-7-28(22-29)30-23-35(26-14-18-39-19-15-26)41-36(24-30)27-16-20-40-21-17-27/h1-24H
InChIKeyBRPRGSBSZUIUBE-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 122665637
6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine
CID 118332103
6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine
CID 118332142
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
6-[3-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665527
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
8-[3-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332243
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
14-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123406
2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine
CID 122415977
6-[3-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665289
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine (CID 118332120) is 6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine is c1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.
What is the InChIKey of 6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine?
The InChIKey is BRPRGSBSZUIUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-2-9-31-25(6-1)12-13-33-37(31)32-10-3-4-11-34(32)42-38(33)29-8-5-7-28(22-29)30-23-35(26-14-18-39-19-15-26)41-36(24-30)27-16-20-40-21-17-27/h1-24H.
What are the key properties of 6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine?
6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine has a molecular weight of 536.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 118332120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).