N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline

C62H41N — CID 170054592

IUPACN-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)c(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C62H41N/c1-2-15-42(16-3-1)43-29-33-48(34-30-43)63(49-35-31-45(32-36-49)52-28-14-20-44-17-4-7-21-51(44)52)50-37-38-59(60-39-46-18-5-8-22-53(46)55-24-10-12-26-57(55)60)62(41-50)61-40-47-19-6-9-23-54(47)56-25-11-13-27-58(56)61/h1-41H
InChIKeyJNBBGDQSRXOPRB-UHFFFAOYSA-N
MW800.02 g/mol
LogP17.59
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline

N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline (PubChem CID 170054592) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
PubChem CID170054592
Molecular FormulaC62H41N
Molecular Weight800.02 g/mol
Exact Mass799.32
IUPAC NameN-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)c(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C62H41N/c1-2-15-42(16-3-1)43-29-33-48(34-30-43)63(49-35-31-45(32-36-49)52-28-14-20-44-17-4-7-21-51(44)52)50-37-38-59(60-39-46-18-5-8-22-53(46)55-24-10-12-26-57(55)60)62(41-50)61-40-47-19-6-9-23-54(47)56-25-11-13-27-58(56)61/h1-41H
InChIKeyJNBBGDQSRXOPRB-UHFFFAOYSA-N
XLogP17.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 517.59
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

3-phenanthren-9-yl-N,N,4-tris(4-phenylphenyl)aniline
CID 170054845
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501733
N-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768
N-(4-naphthalen-1-ylphenyl)-4-(2-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 163547627
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine
CID 168810073
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190
N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine
CID 166875448
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166742019
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline (CID 170054592) is N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)c(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is JNBBGDQSRXOPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-2-15-42(16-3-1)43-29-33-48(34-30-43)63(49-35-31-45(32-36-49)52-28-14-20-44-17-4-7-21-51(44)52)50-37-38-59(60-39-46-18-5-8-22-53(46)55-24-10-12-26-57(55)60)62(41-50)61-40-47-19-6-9-23-54(47)56-25-11-13-27-58(56)61/h1-41H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline?
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 800.02 g/mol, XLogP of 17.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170054592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).