2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline

C42H26N2 — CID 121460952

IUPAC2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc2c(c1)cc(-c1ccc3cc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc3c1)c1ccccc12
InChIInChI=1S/C42H26N2/c1-2-8-36-34(6-1)26-39(38-10-4-3-9-37(36)38)35-20-19-32-24-31(17-18-33(32)25-35)27-11-13-28(14-12-27)40-22-21-30-16-15-29-7-5-23-43-41(29)42(30)44-40/h1-26H
InChIKeyFCLGTTJVLTZEEN-UHFFFAOYSA-N
MW558.68 g/mol
LogP11.24
Rot. Bonds3

About 2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline

2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 121460952) has the molecular formula C42H26N2 and a molecular weight of 558.68 g/mol. Its IUPAC name is 2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
PubChem CID121460952
Molecular FormulaC42H26N2
Molecular Weight558.68 g/mol
Exact Mass558.21
IUPAC Name2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc2c(c1)cc(-c1ccc3cc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc3c1)c1ccccc12
InChIInChI=1S/C42H26N2/c1-2-8-36-34(6-1)26-39(38-10-4-3-9-37(36)38)35-20-19-32-24-31(17-18-33(32)25-35)27-11-13-28(14-12-27)40-22-21-30-16-15-29-7-5-23-43-41(29)42(30)44-40/h1-26H
InChIKeyFCLGTTJVLTZEEN-UHFFFAOYSA-N
XLogP11.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(6-phenanthren-9-ylnaphthalen-2-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-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-1,10-phenanthroline
CID 142752631
2-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]-1,10-phenanthroline
CID 167410506
2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
CID 165008986
2-naphthalen-2-yl-9-[4-[2-[2-(1,10-phenanthrolin-5-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 164779383
2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
CID 165036235
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline
CID 121368463
7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 159833113
6-naphthalen-2-yl-8-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665702
2-[4-[7-(2-triphenylen-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780738
2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
CID 134470932

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline (CID 121460952) is 2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline is c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc3c1)c1ccccc12.
What is the InChIKey of 2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is FCLGTTJVLTZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2/c1-2-8-36-34(6-1)26-39(38-10-4-3-9-37(36)38)35-20-19-32-24-31(17-18-33(32)25-35)27-11-13-28(14-12-27)40-22-21-30-16-15-29-7-5-23-43-41(29)42(30)44-40/h1-26H.
What are the key properties of 2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline?
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 558.68 g/mol, XLogP of 11.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 121460952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).