4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine

C50H31NO — CID 176821012

IUPAC4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4cccc5c4ccc4ccccc45)c4c3oc3ccccc34)cccc2c1
InChIInChI=1S/C50H31NO/c1-4-16-35-32(12-1)15-9-20-40(35)43-30-31-47(49-44-19-7-8-25-48(44)52-50(43)49)51(45-23-10-21-38-36-17-5-2-13-33(36)26-28-41(38)45)46-24-11-22-39-37-18-6-3-14-34(37)27-29-42(39)46/h1-31H
InChIKeyPRORUOWIVIRQNI-UHFFFAOYSA-N
MW661.80 g/mol
LogP14.49
Rot. Bonds4

About 4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine

4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine (PubChem CID 176821012) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine
PubChem CID176821012
Molecular FormulaC50H31NO
Molecular Weight661.80 g/mol
Exact Mass661.24
IUPAC Name4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4cccc5c4ccc4ccccc45)c4c3oc3ccccc34)cccc2c1
InChIInChI=1S/C50H31NO/c1-4-16-35-32(12-1)15-9-20-40(35)43-30-31-47(49-44-19-7-8-25-48(44)52-50(43)49)51(45-23-10-21-38-36-17-5-2-13-33(36)26-28-41(38)45)46-24-11-22-39-37-18-6-3-14-34(37)27-29-42(39)46/h1-31H
InChIKeyPRORUOWIVIRQNI-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.80
LogP ≤ 514.49
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

4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 176821108
4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820677
N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821060
N-phenanthren-1-yl-N-(6-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820912
N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820707
4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069796
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373
N-(2,5-diphenylphenyl)-N-phenanthren-1-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820901
N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820966
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820794

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine (CID 176821012) is 4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine is c1ccc2c(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4cccc5c4ccc4ccccc45)c4c3oc3ccccc34)cccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine?
The InChIKey is PRORUOWIVIRQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-4-16-35-32(12-1)15-9-20-40(35)43-30-31-47(49-44-19-7-8-25-48(44)52-50(43)49)51(45-23-10-21-38-36-17-5-2-13-33(36)26-28-41(38)45)46-24-11-22-39-37-18-6-3-14-34(37)27-29-42(39)46/h1-31H.
What are the key properties of 4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine?
4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine has a molecular weight of 661.80 g/mol, XLogP of 14.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine is sourced from PubChem (CID 176821012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).