2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline

C40H26N2 — CID 138725024

IUPAC2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c4ccccc34)c2)cc1
InChIInChI=1S/C40H26N2/c1-3-10-27(11-4-1)31-14-9-15-32(26-31)33-22-23-36(35-17-8-7-16-34(33)35)38-25-21-30-19-18-29-20-24-37(28-12-5-2-6-13-28)41-39(29)40(30)42-38/h1-26H
InChIKeyCPFPWAZECOAJFZ-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.60
Rot. Bonds4

About 2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline

2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline (PubChem CID 138725024) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
PubChem CID138725024
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c4ccccc34)c2)cc1
InChIInChI=1S/C40H26N2/c1-3-10-27(11-4-1)31-14-9-15-32(26-31)33-22-23-36(35-17-8-7-16-34(33)35)38-25-21-30-19-18-29-20-24-37(28-12-5-2-6-13-28)41-39(29)40(30)42-38/h1-26H
InChIKeyCPFPWAZECOAJFZ-UHFFFAOYSA-N
XLogP10.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2-phenyl-9-[4-(3-pyrimidin-2-ylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725284
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221322
2-phenyl-9-[3-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 138725055
2-phenyl-9-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-1,10-phenanthroline
CID 138725062
2-phenyl-9-[4-(6-pyrimidin-2-ylnaphthalen-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 134596809
2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
CID 134596697
2-[4-[7-[2-(3,5-diphenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(3-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164989934
2-phenyl-9-(4-pyren-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 134596590
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 171732044

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline (CID 138725024) is 2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline is c1ccc(-c2cccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c4ccccc34)c2)cc1.
What is the InChIKey of 2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline?
The InChIKey is CPFPWAZECOAJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-3-10-27(11-4-1)31-14-9-15-32(26-31)33-22-23-36(35-17-8-7-16-34(33)35)38-25-21-30-19-18-29-20-24-37(28-12-5-2-6-13-28)41-39(29)40(30)42-38/h1-26H.
What are the key properties of 2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline?
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline has a molecular weight of 534.66 g/mol, XLogP of 10.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 138725024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).