1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine

C34H23N3O — CID 166442529

IUPAC1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3ccccc3c2Oc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C34H23N3O/c1-3-12-27(13-4-1)37(28-14-5-2-6-15-28)30-21-19-24-10-7-8-16-29(24)34(30)38-31-22-20-26-18-17-25-11-9-23-35-32(25)33(26)36-31/h1-23H
InChIKeyINOQHSHWODFYNQ-UHFFFAOYSA-N
MW489.58 g/mol
LogP9.20
Rot. Bonds5

About 1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine

1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine (PubChem CID 166442529) has the molecular formula C34H23N3O and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine.

Molecular Properties

Compound Name1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine
PubChem CID166442529
Molecular FormulaC34H23N3O
Molecular Weight489.58 g/mol
Exact Mass489.18
IUPAC Name1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3ccccc3c2Oc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C34H23N3O/c1-3-12-27(13-4-1)37(28-14-5-2-6-15-28)30-21-19-24-10-7-8-16-29(24)34(30)38-31-22-20-26-18-17-25-11-9-23-35-32(25)33(26)36-31/h1-23H
InChIKeyINOQHSHWODFYNQ-UHFFFAOYSA-N
XLogP9.20
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyrido[3,3-benzoxazine, 3,4-dihydro-3-(2-phenylethyl)-
CID 291307
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinoxalin-6-yl-ethyl)-amine
CID 10546538
13-Phenyl-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
CID 137634181
13-(3-Methoxyphenyl)-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
CID 137652924
13-(4-Methylphenyl)-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
CID 137657871
3-(1,2,3,4-Tetrahydronaphthalen-1-yl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 168280838
13-(4-Methylphenyl)-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene;hydrochloride
CID 145982550
13-(4-Methylphenyl)-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene
CID 145982551
5H-Benzo[f]pyrano[2,3-h]quinoxaline, 6,7-dihydro-7,7-dimethyl-
CID 12183429
3-[(4-Methoxyphenyl)methyl]-6-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 321684
US20240002380, Example 59
CID 167050158
US20240002380, Example 48
CID 167050172

Frequently Asked Questions

What is the IUPAC name of 1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine?
The IUPAC name of 1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine (CID 166442529) is 1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine.
What is the SMILES notation for 1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine?
The canonical SMILES for 1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine is c1ccc(N(c2ccccc2)c2ccc3ccccc3c2Oc2ccc3ccc4cccnc4c3n2)cc1.
What is the InChIKey of 1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine?
The InChIKey is INOQHSHWODFYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O/c1-3-12-27(13-4-1)37(28-14-5-2-6-15-28)30-21-19-24-10-7-8-16-29(24)34(30)38-31-22-20-26-18-17-25-11-9-23-35-32(25)33(26)36-31/h1-23H.
What are the key properties of 1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine?
1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine has a molecular weight of 489.58 g/mol, XLogP of 9.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylnaphthalen-2-amine is sourced from PubChem (CID 166442529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).