N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine

C50H33NO — CID 176820694

IUPACN-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-11-34(12-4-1)36-19-21-39(22-20-36)44-31-32-47(49-45-17-9-10-18-48(45)52-50(44)49)51(41-28-25-37(26-29-41)35-13-5-2-6-14-35)42-30-27-40-24-23-38-15-7-8-16-43(38)46(40)33-42/h1-33H
InChIKeyDYLPHRZSWXOQPI-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine

N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176820694) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176820694
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-11-34(12-4-1)36-19-21-39(22-20-36)44-31-32-47(49-45-17-9-10-18-48(45)52-50(44)49)51(41-28-25-37(26-29-41)35-13-5-2-6-14-35)42-30-27-40-24-23-38-15-7-8-16-43(38)46(40)33-42/h1-33H
InChIKeyDYLPHRZSWXOQPI-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-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821320
N-phenanthren-3-yl-1-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176820600
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-phenanthren-3-yl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820620
N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821192
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820992
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
CID 176820935
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-(4-dibenzothiophen-1-ylphenyl)-N-phenanthren-3-yl-4-phenyldibenzofuran-1-amine
CID 176820910
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine (CID 176820694) is N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is DYLPHRZSWXOQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-11-34(12-4-1)36-19-21-39(22-20-36)44-31-32-47(49-45-17-9-10-18-48(45)52-50(44)49)51(41-28-25-37(26-29-41)35-13-5-2-6-14-35)42-30-27-40-24-23-38-15-7-8-16-43(38)46(40)33-42/h1-33H.
What are the key properties of N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine?
N-phenanthren-3-yl-N,4-bis(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-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176820694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).