4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline

C58H39N — CID 59308329

IUPAC4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C58H39N/c1-5-18-41(19-6-1)53-39-54(42-20-7-2-8-21-42)57-51-30-16-15-29-50(51)55-38-44(49-31-17-23-40-22-13-14-28-48(40)49)34-37-52(55)58(57)56(53)43-32-35-47(36-33-43)59(45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-39H
InChIKeyYXTSYIWNROQGDU-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About 4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline

4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline (PubChem CID 59308329) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is 4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
PubChem CID59308329
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC Name4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C58H39N/c1-5-18-41(19-6-1)53-39-54(42-20-7-2-8-21-42)57-51-30-16-15-29-50(51)55-38-44(49-31-17-23-40-22-13-14-28-48(40)49)34-37-52(55)58(57)56(53)43-32-35-47(36-33-43)59(45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-39H
InChIKeyYXTSYIWNROQGDU-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

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-(7-phenanthren-9-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308354
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 159775531
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59307858
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308401
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine
CID 158527440
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986

Frequently Asked Questions

What is the IUPAC name of 4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline (CID 59308329) is 4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline?
The InChIKey is YXTSYIWNROQGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-5-18-41(19-6-1)53-39-54(42-20-7-2-8-21-42)57-51-30-16-15-29-50(51)55-38-44(49-31-17-23-40-22-13-14-28-48(40)49)34-37-52(55)58(57)56(53)43-32-35-47(36-33-43)59(45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-39H.
What are the key properties of 4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline?
4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline 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 4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline is sourced from PubChem (CID 59308329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).