N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine

C50H33NO — CID 167397469

IUPACN-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4oc5c(-c6ccccc6)cccc5c34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-13-34(14-4-1)35-25-29-39(30-26-35)51(47-23-12-24-48-49(47)45-22-11-21-42(50(45)52-48)36-15-5-2-6-16-36)40-31-27-37(28-32-40)46-33-38-17-7-8-18-41(38)43-19-9-10-20-44(43)46/h1-33H
InChIKeyRSIQEIICDYPJKJ-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine

N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 167397469) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID167397469
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4oc5c(-c6ccccc6)cccc5c34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-13-34(14-4-1)35-25-29-39(30-26-35)51(47-23-12-24-48-49(47)45-22-11-21-42(50(45)52-48)36-15-5-2-6-16-36)40-31-27-37(28-32-40)46-33-38-17-7-8-18-41(38)43-19-9-10-20-44(43)46/h1-33H
InChIKeyRSIQEIICDYPJKJ-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
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-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 176810422
N-(3,5-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738007
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167277337
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167277671
N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169007542
N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234646
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397171
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 167397469) is N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4oc5c(-c6ccccc6)cccc5c34)cc2)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is RSIQEIICDYPJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-13-34(14-4-1)35-25-29-39(30-26-35)51(47-23-12-24-48-49(47)45-22-11-21-42(50(45)52-48)36-15-5-2-6-16-36)40-31-27-37(28-32-40)46-33-38-17-7-8-18-41(38)43-19-9-10-20-44(43)46/h1-33H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167397469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).