N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine

C48H31NO — CID 177281179

IUPACN-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3-c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C48H31NO/c1-2-13-32(14-3-1)35-18-12-19-37(29-35)49(38-26-25-33-15-4-5-16-34(33)30-38)44-27-28-46-48(42-23-10-11-24-45(42)50-46)47(44)43-31-36-17-6-7-20-39(36)40-21-8-9-22-41(40)43/h1-31H
InChIKeyRCIXZVVWHHKXQK-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine

N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177281179) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
PubChem CID177281179
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3-c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C48H31NO/c1-2-13-32(14-3-1)35-18-12-19-37(29-35)49(38-26-25-33-15-4-5-16-34(33)30-38)44-27-28-46-48(42-23-10-11-24-45(42)50-46)47(44)43-31-36-17-6-7-20-39(36)40-21-8-9-22-41(40)43/h1-31H
InChIKeyRCIXZVVWHHKXQK-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.85
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

N-(6-phenylnaphthalen-2-yl)-N,1-bis(3-phenylphenyl)dibenzofuran-2-amine
CID 177281469
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280624
1-(2,4-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281004
1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281230
1-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280903
N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525
N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280932
1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281262
N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 176587466
4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine
CID 174257337
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296304

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine (CID 177281179) is N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3-c3cc4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is RCIXZVVWHHKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-13-32(14-3-1)35-18-12-19-37(29-35)49(38-26-25-33-15-4-5-16-34(33)30-38)44-27-28-46-48(42-23-10-11-24-45(42)50-46)47(44)43-31-36-17-6-7-20-39(36)40-21-8-9-22-41(40)43/h1-31H.
What are the key properties of N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine?
N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 637.78 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177281179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).