8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine

C66H45N — CID 89083816

IUPAC8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine
SMILESC1=CCCC(c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(-c3ccccc3)c3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c4ccccc4c23)=C1
InChIInChI=1S/C66H45N/c1-3-18-48(19-4-1)62-43-61(49-30-27-47(28-31-49)54-32-29-44-15-7-10-22-51(44)39-54)64(50-20-5-2-6-21-50)66-60-38-37-57(42-63(60)58-25-13-14-26-59(58)65(62)66)67(55-35-33-45-16-8-11-23-52(45)40-55)56-36-34-46-17-9-12-24-53(46)41-56/h1-3,5-18,20-43H,4,19H2
InChIKeyYYILWKYTEWAKGD-UHFFFAOYSA-N
MW852.09 g/mol
LogP18.81
Rot. Bonds7

About 8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine

8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine (PubChem CID 89083816) has the molecular formula C66H45N and a molecular weight of 852.09 g/mol. Its IUPAC name is 8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine.

Molecular Properties

Compound Name8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine
PubChem CID89083816
Molecular FormulaC66H45N
Molecular Weight852.09 g/mol
Exact Mass851.36
IUPAC Name8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine
SMILESC1=CCCC(c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(-c3ccccc3)c3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c4ccccc4c23)=C1
InChIInChI=1S/C66H45N/c1-3-18-48(19-4-1)62-43-61(49-30-27-47(28-31-49)54-32-29-44-15-7-10-22-51(44)39-54)64(50-20-5-2-6-21-50)66-60-38-37-57(42-63(60)58-25-13-14-26-59(58)65(62)66)67(55-35-33-45-16-8-11-23-52(45)40-55)56-36-34-46-17-9-12-24-53(46)41-56/h1-3,5-18,20-43H,4,19H2
InChIKeyYYILWKYTEWAKGD-UHFFFAOYSA-N
XLogP18.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.09
LogP ≤ 518.81
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-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 89083843
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
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-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
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-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
8-cyclohexa-1,3-dien-1-yl-N-(2-methylphenyl)-N-(3-methylphenyl)-5,6-diphenyltriphenylen-2-amine
CID 89083901
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-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine
CID 59308295

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine?
The IUPAC name of 8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine (CID 89083816) is 8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine.
What is the SMILES notation for 8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine?
The canonical SMILES for 8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine is C1=CCCC(c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(-c3ccccc3)c3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c4ccccc4c23)=C1.
What is the InChIKey of 8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine?
The InChIKey is YYILWKYTEWAKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N/c1-3-18-48(19-4-1)62-43-61(49-30-27-47(28-31-49)54-32-29-44-15-7-10-22-51(44)39-54)64(50-20-5-2-6-21-50)66-60-38-37-57(42-63(60)58-25-13-14-26-59(58)65(62)66)67(55-35-33-45-16-8-11-23-52(45)40-55)56-36-34-46-17-9-12-24-53(46)41-56/h1-3,5-18,20-43H,4,19H2.
What are the key properties of 8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine?
8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine has a molecular weight of 852.09 g/mol, XLogP of 18.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine is sourced from PubChem (CID 89083816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).