2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline

C35H22N4 — CID 118403847

IUPAC2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3c3cccnc32)cc1
InChIInChI=1S/C35H22N4/c1-2-7-28(8-3-1)39-32-19-17-27(22-30(32)29-9-5-21-37-35(29)39)23-10-12-24(13-11-23)31-18-16-26-15-14-25-6-4-20-36-33(25)34(26)38-31/h1-22H
InChIKeyBIIKPAWOCDKCGR-UHFFFAOYSA-N
MW498.59 g/mol
LogP8.61
Rot. Bonds3

About 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline

2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline (PubChem CID 118403847) has the molecular formula C35H22N4 and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
PubChem CID118403847
Molecular FormulaC35H22N4
Molecular Weight498.59 g/mol
Exact Mass498.18
IUPAC Name2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3c3cccnc32)cc1
InChIInChI=1S/C35H22N4/c1-2-7-28(8-3-1)39-32-19-17-27(22-30(32)29-9-5-21-37-35(29)39)23-10-12-24(13-11-23)31-18-16-26-15-14-25-6-4-20-36-33(25)34(26)38-31/h1-22H
InChIKeyBIIKPAWOCDKCGR-UHFFFAOYSA-N
XLogP8.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(9-phenylpyrido[2,3-b]indol-6-yl)cyclohexa-1,3-dien-1-yl]phenyl]-1,10-phenanthroline
CID 146530896
2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118403848
2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline
CID 118403826
9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole
CID 159575994
12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90324556
6-(5-naphthalen-1-yl-2-pyridinyl)-9-phenylpyrido[2,3-b]indole
CID 118403794
7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
9-phenyl-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-b]indole
CID 118403810
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515
7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 129221910
2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 161107449

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline (CID 118403847) is 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline is c1ccc(-n2c3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3c3cccnc32)cc1.
What is the InChIKey of 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline?
The InChIKey is BIIKPAWOCDKCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4/c1-2-7-28(8-3-1)39-32-19-17-27(22-30(32)29-9-5-21-37-35(29)39)23-10-12-24(13-11-23)31-18-16-26-15-14-25-6-4-20-36-33(25)34(26)38-31/h1-22H.
What are the key properties of 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline?
2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline has a molecular weight of 498.59 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 118403847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).