1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol

C78H52N4O2 — CID 139185543

IUPAC1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol
SMILESCc1ccc(-c2ccc3ccccc3c2-c2c(O)c(-c3ccc4ccc5cccnc5c4n3)cc3ccccc23)cc1.Cc1ccc(-c2ccc3ccccc3c2-c2c(O)c(-c3ccc4ccc5cccnc5c4n3)cc3ccccc23)cc1
InChIInChI=1S/2C39H26N2O/c2*1-24-12-14-26(15-13-24)32-20-18-25-7-2-4-10-30(25)35(32)36-31-11-5-3-8-29(31)23-33(39(36)42)34-21-19-28-17-16-27-9-6-22-40-37(27)38(28)41-34/h2*2-23,42H,1H3
InChIKeyYJQBUZVHUYYWCN-UHFFFAOYSA-N
MW1077.30 g/mol
LogP20.21
Rot. Bonds6

About 1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol

1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol (PubChem CID 139185543) has the molecular formula C78H52N4O2 and a molecular weight of 1077.30 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol
PubChem CID139185543
Molecular FormulaC78H52N4O2
Molecular Weight1077.30 g/mol
Exact Mass1076.41
IUPAC Name1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol
SMILESCc1ccc(-c2ccc3ccccc3c2-c2c(O)c(-c3ccc4ccc5cccnc5c4n3)cc3ccccc23)cc1.Cc1ccc(-c2ccc3ccccc3c2-c2c(O)c(-c3ccc4ccc5cccnc5c4n3)cc3ccccc23)cc1
InChIInChI=1S/2C39H26N2O/c2*1-24-12-14-26(15-13-24)32-20-18-25-7-2-4-10-30(25)35(32)36-31-11-5-3-8-29(31)23-33(39(36)42)34-21-19-28-17-16-27-9-6-22-40-37(27)38(28)41-34/h2*2-23,42H,1H3
InChIKeyYJQBUZVHUYYWCN-UHFFFAOYSA-N
XLogP20.21
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.30
LogP ≤ 520.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 137158075
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 164519373
4-[3-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654272
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
2-[4-[4-(5-phenylthiophen-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166508990
1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol
CID 177474104
4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146654069
2-[4-[4-(5-phenanthren-9-yl-2,4-diphenylfuran-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166509400

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol?
The IUPAC name of 1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol (CID 139185543) is 1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol?
The canonical SMILES for 1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol is Cc1ccc(-c2ccc3ccccc3c2-c2c(O)c(-c3ccc4ccc5cccnc5c4n3)cc3ccccc23)cc1.Cc1ccc(-c2ccc3ccccc3c2-c2c(O)c(-c3ccc4ccc5cccnc5c4n3)cc3ccccc23)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol?
The InChIKey is YJQBUZVHUYYWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H26N2O/c2*1-24-12-14-26(15-13-24)32-20-18-25-7-2-4-10-30(25)35(32)36-31-11-5-3-8-29(31)23-33(39(36)42)34-21-19-28-17-16-27-9-6-22-40-37(27)38(28)41-34/h2*2-23,42H,1H3.
What are the key properties of 1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol?
1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol has a molecular weight of 1077.30 g/mol, XLogP of 20.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol is sourced from PubChem (CID 139185543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).