N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine

C58H39N — CID 59307890

IUPACN-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2c2c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C58H39N/c1-5-18-40(19-6-1)45-34-37-51-54(38-45)49-29-15-16-30-50(49)57-53(39-52(42-20-7-2-8-21-42)56(58(51)57)44-23-9-3-10-24-44)43-32-35-47(36-33-43)59(46-26-11-4-12-27-46)55-31-17-25-41-22-13-14-28-48(41)55/h1-39H
InChIKeyAPXPJLYUQGSALE-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine

N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine (PubChem CID 59307890) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
PubChem CID59307890
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC NameN-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2c2c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C58H39N/c1-5-18-40(19-6-1)45-34-37-51-54(38-45)49-29-15-16-30-50(49)57-53(39-52(42-20-7-2-8-21-42)56(58(51)57)44-23-9-3-10-24-44)43-32-35-47(36-33-43)59(46-26-11-4-12-27-46)55-31-17-25-41-22-13-14-28-48(41)55/h1-39H
InChIKeyAPXPJLYUQGSALE-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.44
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-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308401
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308329
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59308259
4-(7-naphthalen-1-yl-3,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-2-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 161212019
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
4-(7-phenanthren-9-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308354
N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine
CID 159285564
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 169063067

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine (CID 59307890) is N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc3c(c2)c2ccccc2c2c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.
What is the InChIKey of N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine?
The InChIKey is APXPJLYUQGSALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-5-18-40(19-6-1)45-34-37-51-54(38-45)49-29-15-16-30-50(49)57-53(39-52(42-20-7-2-8-21-42)56(58(51)57)44-23-9-3-10-24-44)43-32-35-47(36-33-43)59(46-26-11-4-12-27-46)55-31-17-25-41-22-13-14-28-48(41)55/h1-39H.
What are the key properties of N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine?
N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine has a molecular weight of 749.96 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 59307890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).