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

C174H117N3 — CID 161212019

IUPAC4-(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
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc6ccccc6c5)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/3C58H39N/c1-5-18-41(19-6-1)53-39-54(42-32-35-47(36-33-42)59(45-24-9-3-10-25-45)46-26-11-4-12-27-46)57-51-30-16-15-29-50(51)55-38-44(49-31-17-23-40-20-13-14-28-48(40)49)34-37-52(55)58(57)56(53)43-21-7-2-8-22-43;1-5-18-41(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;1-5-18-41(19-6-1)53-39-54(42-20-7-2-8-21-42)57-51-28-16-15-27-50(51)55-38-46(45-30-29-40-17-13-14-22-44(40)37-45)33-36-52(55)58(57)56(53)43-31-34-49(35-32-43)59(47-23-9-3-10-24-47)48-25-11-4-12-26-48/h3*1-39H
InChIKeyUWJBRMCICSVNOB-UHFFFAOYSA-N
MW2249.87 g/mol
LogP49.31
Rot. Bonds21

About 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

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 (PubChem CID 161212019) has the molecular formula C174H117N3 and a molecular weight of 2249.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID161212019
Molecular FormulaC174H117N3
Molecular Weight2249.87 g/mol
Exact Mass2247.92
IUPAC Name4-(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
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc6ccccc6c5)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/3C58H39N/c1-5-18-41(19-6-1)53-39-54(42-32-35-47(36-33-42)59(45-24-9-3-10-25-45)46-26-11-4-12-27-46)57-51-30-16-15-29-50(51)55-38-44(49-31-17-23-40-20-13-14-28-48(40)49)34-37-52(55)58(57)56(53)43-21-7-2-8-22-43;1-5-18-41(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;1-5-18-41(19-6-1)53-39-54(42-20-7-2-8-21-42)57-51-28-16-15-27-50(51)55-38-46(45-30-29-40-17-13-14-22-44(40)37-45)33-36-52(55)58(57)56(53)43-31-34-49(35-32-43)59(47-23-9-3-10-24-47)48-25-11-4-12-26-48/h3*1-39H
InChIKeyUWJBRMCICSVNOB-UHFFFAOYSA-N
XLogP49.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms177
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002249.87
LogP ≤ 549.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-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
N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308401
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-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890
4-(7-phenanthren-9-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308354
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169062474
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc6ccccc6c5)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is UWJBRMCICSVNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C58H39N/c1-5-18-41(19-6-1)53-39-54(42-32-35-47(36-33-42)59(45-24-9-3-10-25-45)46-26-11-4-12-27-46)57-51-30-16-15-29-50(51)55-38-44(49-31-17-23-40-20-13-14-28-48(40)49)34-37-52(55)58(57)56(53)43-21-7-2-8-22-43;1-5-18-41(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;1-5-18-41(19-6-1)53-39-54(42-20-7-2-8-21-42)57-51-28-16-15-27-50(51)55-38-46(45-30-29-40-17-13-14-22-44(40)37-45)33-36-52(55)58(57)56(53)43-31-34-49(35-32-43)59(47-23-9-3-10-24-47)48-25-11-4-12-26-48/h3*1-39H.
What are the key properties of 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?
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 has a molecular weight of 2249.87 g/mol, XLogP of 49.31, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161212019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).