N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline

C60H41N — CID 177274546

IUPACN-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3c(-c4cc5ccccc5c5ccccc45)cccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C60H41N/c1-3-14-42(15-4-1)45-26-29-48(30-27-45)60-57(58-41-51-20-9-10-21-54(51)55-22-11-12-23-56(55)58)24-13-25-59(60)61(52-36-32-46(33-37-52)43-16-5-2-6-17-43)53-38-34-47(35-39-53)50-31-28-44-18-7-8-19-49(44)40-50/h1-41H
InChIKeyLKUYPJKDILNNBF-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.95
Rot. Bonds8

About N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline

N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline (PubChem CID 177274546) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
PubChem CID177274546
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC NameN-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3c(-c4cc5ccccc5c5ccccc45)cccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C60H41N/c1-3-14-42(15-4-1)45-26-29-48(30-27-45)60-57(58-41-51-20-9-10-21-54(51)55-22-11-12-23-56(55)58)24-13-25-59(60)61(52-36-32-46(33-37-52)43-16-5-2-6-17-43)53-38-34-47(35-39-53)50-31-28-44-18-7-8-19-49(44)40-50/h1-41H
InChIKeyLKUYPJKDILNNBF-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 166566606
N-[2-phenanthren-9-yl-3-(2-phenylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177274846
2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 177274928
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788963
2-phenanthren-9-yl-N-phenyl-3-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 177274758
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274685
11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 177274467
N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614539
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177274581
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenanthren-9-ylphenyl)phenyl]aniline
CID 163468369
2-dibenzothiophen-2-yl-3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274441
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 170136262

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline (CID 177274546) is N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3c(-c4cc5ccccc5c5ccccc45)cccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline?
The InChIKey is LKUYPJKDILNNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-3-14-42(15-4-1)45-26-29-48(30-27-45)60-57(58-41-51-20-9-10-21-54(51)55-22-11-12-23-56(55)58)24-13-25-59(60)61(52-36-32-46(33-37-52)43-16-5-2-6-17-43)53-38-34-47(35-39-53)50-31-28-44-18-7-8-19-49(44)40-50/h1-41H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline?
N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline has a molecular weight of 776.00 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 177274546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).