N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline

C60H41N — CID 170065871

IUPACN-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccccc3-c3ccc(-c4cccc5ccccc45)cc3)c(-c3ccccc3)cc2-c2cccc3ccc4ccccc4c23)cc1
InChIInChI=1S/C60H41N/c1-4-18-43(19-5-1)55-41-59(56(44-20-6-2-7-21-44)40-57(55)54-32-17-25-48-39-38-45-23-11-13-30-53(45)60(48)54)61(49-26-8-3-9-27-49)58-33-15-14-29-52(58)47-36-34-46(35-37-47)51-31-16-24-42-22-10-12-28-50(42)51/h1-41H
InChIKeyMFLADQVCINTXKR-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.95
Rot. Bonds8

About N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline

N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline (PubChem CID 170065871) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline.

Molecular Properties

Compound NameN-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline
PubChem CID170065871
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC NameN-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccccc3-c3ccc(-c4cccc5ccccc45)cc3)c(-c3ccccc3)cc2-c2cccc3ccc4ccccc4c23)cc1
InChIInChI=1S/C60H41N/c1-4-18-43(19-5-1)55-41-59(56(44-20-6-2-7-21-44)40-57(55)54-32-17-25-48-39-38-45-23-11-13-30-53(45)60(48)54)61(49-26-8-3-9-27-49)58-33-15-14-29-52(58)47-36-34-46(35-37-47)51-31-16-24-42-22-10-12-28-50(42)51/h1-41H
InChIKeyMFLADQVCINTXKR-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-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254274
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
CID 176587601
2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167183794
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167183896
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300
2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline?
The IUPAC name of N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline (CID 170065871) is N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline.
What is the SMILES notation for N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline?
The canonical SMILES for N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline is c1ccc(-c2cc(N(c3ccccc3)c3ccccc3-c3ccc(-c4cccc5ccccc45)cc3)c(-c3ccccc3)cc2-c2cccc3ccc4ccccc4c23)cc1.
What is the InChIKey of N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline?
The InChIKey is MFLADQVCINTXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-4-18-43(19-5-1)55-41-59(56(44-20-6-2-7-21-44)40-57(55)54-32-17-25-48-39-38-45-23-11-13-30-53(45)60(48)54)61(49-26-8-3-9-27-49)58-33-15-14-29-52(58)47-36-34-46(35-37-47)51-31-16-24-42-22-10-12-28-50(42)51/h1-41H.
What are the key properties of N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline?
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline 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-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline is sourced from PubChem (CID 170065871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).