N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

C50H33NO — CID 177069460

IUPACN-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4cc5ccccc5c5ccccc45)c4ccc(-c5ccccc5)c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)38-19-13-20-40(32-38)51(47-33-39-18-7-8-21-41(39)43-22-9-10-23-44(43)47)46-31-30-42(37-16-5-2-6-17-37)50-49(46)45-24-11-12-25-48(45)52-50/h1-33H
InChIKeyPZSAJJPNXOJBNU-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069460) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069460
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4cc5ccccc5c5ccccc45)c4ccc(-c5ccccc5)c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)38-19-13-20-40(32-38)51(47-33-39-18-7-8-21-41(39)43-22-9-10-23-44(43)47)46-31-30-42(37-16-5-2-6-17-37)50-49(46)45-24-11-12-25-48(45)52-50/h1-33H
InChIKeyPZSAJJPNXOJBNU-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-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N-(3-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069616
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
CID 176820953
4-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069608
N-phenanthren-4-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820452
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069852
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176820885
4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069305
N-(2,4-diphenylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820607

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069460) is N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3cccc(N(c4cc5ccccc5c5ccccc45)c4ccc(-c5ccccc5)c5oc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is PZSAJJPNXOJBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)38-19-13-20-40(32-38)51(47-33-39-18-7-8-21-41(39)43-22-9-10-23-44(43)47)46-31-30-42(37-16-5-2-6-17-37)50-49(46)45-24-11-12-25-48(45)52-50/h1-33H.
What are the key properties of N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]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-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).