1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol

C44H28N2O — CID 137302472

IUPAC1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol
SMILESOc1c(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C44H28N2O/c47-44-37(39-26-23-32-20-19-31-22-25-38(30-14-5-2-6-15-30)45-42(31)43(32)46-39)27-33-16-8-10-18-35(33)41(44)40-34-17-9-7-13-29(34)21-24-36(40)28-11-3-1-4-12-28/h1-27,47H
InChIKeyHHVXGHMMEHRWNR-UHFFFAOYSA-N
MW600.72 g/mol
LogP11.46
Rot. Bonds4

About 1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol

1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol (PubChem CID 137302472) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol
PubChem CID137302472
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol
SMILESOc1c(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C44H28N2O/c47-44-37(39-26-23-32-20-19-31-22-25-38(30-14-5-2-6-15-30)45-42(31)43(32)46-39)27-33-16-8-10-18-35(33)41(44)40-34-17-9-7-13-29(34)21-24-36(40)28-11-3-1-4-12-28/h1-27,47H
InChIKeyHHVXGHMMEHRWNR-UHFFFAOYSA-N
XLogP11.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 511.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Nitrophenyl)benzo[a]phenazin-5-ol
CID 135439704
6-Bromo-1-(3-bromobenzo[a]phenazin-5-yl)naphthalen-2-ol
CID 136007820
2-Benzo[a]phenazin-5-ylnaphthalen-1-ol
CID 136007823
12-Phenylbenzo[b]acridin-9-ol;hydrochloride
CID 137641590
12-Phenylbenzo[b]acridin-3-ol;hydrochloride
CID 137643006
1-(Benzo[a]phenazin-5-yl)naphthalen-2-ol
CID 136007873
6-Isopentyl-1,2,3,4-tetrahydrobenzo[a]phenazin-5(7h)-one
CID 136068712
6-(3-Methylbut-2-enyl)benzo[a]phenazin-5-ol
CID 136135867
Benzo[a]phenazin-5-ol
CID 135480579
6-(4-Fluorophenyl)benzo[a]phenazin-5-ol
CID 135419192
5,8-Dimethyldibenzo(B,J)(1,10)Phenanthroline-6,7-Diol
CID 135588744
4-Methyl-2-(4-phenylquinolin-2-yl)phenol
CID 2459772

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol?
The IUPAC name of 1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol (CID 137302472) is 1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol is Oc1c(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol?
The InChIKey is HHVXGHMMEHRWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c47-44-37(39-26-23-32-20-19-31-22-25-38(30-14-5-2-6-15-30)45-42(31)43(32)46-39)27-33-16-8-10-18-35(33)41(44)40-34-17-9-7-13-29(34)21-24-36(40)28-11-3-1-4-12-28/h1-27,47H.
What are the key properties of 1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol?
1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol has a molecular weight of 600.72 g/mol, XLogP of 11.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol is sourced from PubChem (CID 137302472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).