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

C66H43NO — CID 170133721

IUPACN-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)cc5)c5cc6ccccc6c6ccccc56)cc4)c4ccccc4c3)cc2)cc1
InChIInChI=1S/C66H43NO/c1-2-12-44(13-3-1)45-24-28-49(29-25-45)54-40-52-14-4-7-17-58(52)63(41-54)50-32-37-56(38-33-50)67(64-42-53-15-5-6-16-57(53)59-18-8-9-19-60(59)64)55-35-30-47(31-36-55)46-22-26-48(27-23-46)51-34-39-62-61-20-10-11-21-65(61)68-66(62)43-51/h1-43H
InChIKeyKSJZLJBJRXINLP-UHFFFAOYSA-N
MW866.08 g/mol
LogP18.85
Rot. Bonds8

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

N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine (PubChem CID 170133721) 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-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine
PubChem CID170133721
Molecular FormulaC66H43NO
Molecular Weight866.08 g/mol
Exact Mass865.33
IUPAC NameN-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)cc5)c5cc6ccccc6c6ccccc56)cc4)c4ccccc4c3)cc2)cc1
InChIInChI=1S/C66H43NO/c1-2-12-44(13-3-1)45-24-28-49(29-25-45)54-40-52-14-4-7-17-58(52)63(41-54)50-32-37-56(38-33-50)67(64-42-53-15-5-6-16-57(53)59-18-8-9-19-60(59)64)55-35-30-47(31-36-55)46-22-26-48(27-23-46)51-34-39-62-61-20-10-11-21-65(61)68-66(62)43-51/h1-43H
InChIKeyKSJZLJBJRXINLP-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-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 170133722
N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
CID 170133889
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170134223
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133778
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170133817
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397171
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137080
N-[2-[2-(4-naphtho[2,1-b][1]benzofuran-5-yl-N-phenanthren-9-ylanilino)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-7-phenylphenanthren-2-amine
CID 167086665

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine (CID 170133721) is N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)cc5)c5cc6ccccc6c6ccccc56)cc4)c4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine?
The InChIKey is KSJZLJBJRXINLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO/c1-2-12-44(13-3-1)45-24-28-49(29-25-45)54-40-52-14-4-7-17-58(52)63(41-54)50-32-37-56(38-33-50)67(64-42-53-15-5-6-16-57(53)59-18-8-9-19-60(59)64)55-35-30-47(31-36-55)46-22-26-48(27-23-46)51-34-39-62-61-20-10-11-21-65(61)68-66(62)43-51/h1-43H.
What are the key properties of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine?
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-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-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 170133721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).