N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine

C66H43NO — CID 170133817

IUPACN-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)cc5)c5cc6ccccc6c6ccccc56)cc4)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C66H43NO/c1-2-12-44(13-3-1)45-26-28-51(29-27-45)66-57-17-7-4-14-49(57)34-40-58(66)50-32-38-55(39-33-50)67(63-42-53-15-5-6-16-56(53)59-18-8-9-19-60(59)63)54-36-30-47(31-37-54)46-22-24-48(25-23-46)52-35-41-62-61-20-10-11-21-64(61)68-65(62)43-52/h1-43H
InChIKeyWPEITUHEWIMQAR-UHFFFAOYSA-N
MW866.08 g/mol
LogP18.85
Rot. Bonds8

About N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine

N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine (PubChem CID 170133817) has the molecular formula C66H43NO and a molecular weight of 866.08 g/mol. Its IUPAC name is N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
PubChem CID170133817
Molecular FormulaC66H43NO
Molecular Weight866.08 g/mol
Exact Mass865.33
IUPAC NameN-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)cc5)c5cc6ccccc6c6ccccc56)cc4)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C66H43NO/c1-2-12-44(13-3-1)45-26-28-51(29-27-45)66-57-17-7-4-14-49(57)34-40-58(66)50-32-38-55(39-33-50)67(63-42-53-15-5-6-16-56(53)59-18-8-9-19-60(59)63)54-36-30-47(31-37-54)46-22-24-48(25-23-46)52-35-41-62-61-20-10-11-21-64(61)68-65(62)43-52/h1-43H
InChIKeyWPEITUHEWIMQAR-UHFFFAOYSA-N
XLogP18.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 518.85
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-(4-dibenzofuran-3-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133778
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134332
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134121
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine
CID 170133721
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134327
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 170133722
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
N-[4-(2-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenanthren-9-amine
CID 170133970
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-[4-(3,4-diphenylphenyl)phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177128275
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 170134279
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine (CID 170133817) is N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)cc5)c5cc6ccccc6c6ccccc56)cc4)ccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine?
The InChIKey is WPEITUHEWIMQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO/c1-2-12-44(13-3-1)45-26-28-51(29-27-45)66-57-17-7-4-14-49(57)34-40-58(66)50-32-38-55(39-33-50)67(63-42-53-15-5-6-16-56(53)59-18-8-9-19-60(59)63)54-36-30-47(31-37-54)46-22-24-48(25-23-46)52-35-41-62-61-20-10-11-21-64(61)68-65(62)43-52/h1-43H.
What are the key properties of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine?
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine has a molecular weight of 866.08 g/mol, XLogP of 18.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 170133817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).