4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline

C70H48N2 — CID 59307953

IUPAC4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c4ccccc4c4cc(-c5ccc6ccccc6c5)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C70H48N2/c1-6-21-50(22-7-1)65-48-66(51-36-41-60(42-37-51)71(56-24-8-2-9-25-56)57-26-10-3-11-27-57)69-63-33-19-18-32-62(63)67-47-55(54-35-34-49-20-16-17-23-53(49)46-54)40-45-64(67)70(69)68(65)52-38-43-61(44-39-52)72(58-28-12-4-13-29-58)59-30-14-5-15-31-59/h1-48H
InChIKeyANVSRJDNJOLRQR-UHFFFAOYSA-N
MW917.17 g/mol
LogP19.91
Rot. Bonds10

About 4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline

4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline (PubChem CID 59307953) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is 4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
PubChem CID59307953
Molecular FormulaC70H48N2
Molecular Weight917.17 g/mol
Exact Mass916.38
IUPAC Name4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c4ccccc4c4cc(-c5ccc6ccccc6c5)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C70H48N2/c1-6-21-50(22-7-1)65-48-66(51-36-41-60(42-37-51)71(56-24-8-2-9-25-56)57-26-10-3-11-27-57)69-63-33-19-18-32-62(63)67-47-55(54-35-34-49-20-16-17-23-53(49)46-54)40-45-64(67)70(69)68(65)52-38-43-61(44-39-52)72(58-28-12-4-13-29-58)59-30-14-5-15-31-59/h1-48H
InChIKeyANVSRJDNJOLRQR-UHFFFAOYSA-N
XLogP19.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.17
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
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-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline
CID 59307663
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307671
N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308401
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
4-(7-phenanthren-9-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308354

Frequently Asked Questions

What is the IUPAC name of 4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline (CID 59307953) is 4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c4ccccc4c4cc(-c5ccc6ccccc6c5)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline?
The InChIKey is ANVSRJDNJOLRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-6-21-50(22-7-1)65-48-66(51-36-41-60(42-37-51)71(56-24-8-2-9-25-56)57-26-10-3-11-27-57)69-63-33-19-18-32-62(63)67-47-55(54-35-34-49-20-16-17-23-53(49)46-54)40-45-64(67)70(69)68(65)52-38-43-61(44-39-52)72(58-28-12-4-13-29-58)59-30-14-5-15-31-59/h1-48H.
What are the key properties of 4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline?
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline has a molecular weight of 917.17 g/mol, XLogP of 19.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline is sourced from PubChem (CID 59307953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).