4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline

C58H41N — CID 89083843

IUPAC4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline
SMILESC1=CCCC(c2cc(-c3ccccc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c4ccc(-c5ccc6ccccc6c5)cc4c4ccccc4c23)=C1
InChIInChI=1S/C58H41N/c1-5-18-41(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/h1-7,9-20,22-39H,8,21H2
InChIKeyHWFKTEFPTZBFBU-UHFFFAOYSA-N
MW751.97 g/mol
LogP16.50
Rot. Bonds7

About 4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline

4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline (PubChem CID 89083843) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is 4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline
PubChem CID89083843
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC Name4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline
SMILESC1=CCCC(c2cc(-c3ccccc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c4ccc(-c5ccc6ccccc6c5)cc4c4ccccc4c23)=C1
InChIInChI=1S/C58H41N/c1-5-18-41(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/h1-7,9-20,22-39H,8,21H2
InChIKeyHWFKTEFPTZBFBU-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 516.50
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

8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine
CID 89083816
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
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
8-cyclohexa-1,3-dien-1-yl-N-(2-methylphenyl)-N-(3-methylphenyl)-5,6-diphenyltriphenylen-2-amine
CID 89083901
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-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline (CID 89083843) is 4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline is C1=CCCC(c2cc(-c3ccccc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c4ccc(-c5ccc6ccccc6c5)cc4c4ccccc4c23)=C1.
What is the InChIKey of 4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline?
The InChIKey is HWFKTEFPTZBFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-5-18-41(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/h1-7,9-20,22-39H,8,21H2.
What are the key properties of 4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline?
4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline has a molecular weight of 751.97 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline is sourced from PubChem (CID 89083843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).