N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine

C55H39N — CID 59308597

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
SMILESCc1cccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C55H39N/c1-36-15-13-23-42(33-36)56(51-32-29-41-28-27-40-22-14-26-47(51)52(40)41)43-30-31-46-50(34-43)44-24-11-12-25-45(44)54-49(38-18-7-3-8-19-38)35-48(37-16-5-2-6-17-37)53(55(46)54)39-20-9-4-10-21-39/h2-26,29-35H,27-28H2,1H3
InChIKeyKYOHKCZSEFCYFX-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.18
Rot. Bonds6

About N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine

N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine (PubChem CID 59308597) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
PubChem CID59308597
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
SMILESCc1cccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C55H39N/c1-36-15-13-23-42(33-36)56(51-32-29-41-28-27-40-22-14-26-47(51)52(40)41)43-30-31-46-50(34-43)44-24-11-12-25-45(44)54-49(38-18-7-3-8-19-38)35-48(37-16-5-2-6-17-37)53(55(46)54)39-20-9-4-10-21-39/h2-26,29-35H,27-28H2,1H3
InChIKeyKYOHKCZSEFCYFX-UHFFFAOYSA-N
XLogP15.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.18
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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Launch Full Analysis

Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308019
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308865
6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine
CID 89083812
N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine
CID 89083810
8-cyclohexa-1,3-dien-1-yl-N-(2-methylphenyl)-N-(3-methylphenyl)-5,6-diphenyltriphenylen-2-amine
CID 89083901
N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile
CID 161409372
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59308259
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
CID 59308138
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59307858
N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine (CID 59308597) is N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine is Cc1cccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3c4c(cccc24)CC3)c1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine?
The InChIKey is KYOHKCZSEFCYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-36-15-13-23-42(33-36)56(51-32-29-41-28-27-40-22-14-26-47(51)52(40)41)43-30-31-46-50(34-43)44-24-11-12-25-45(44)54-49(38-18-7-3-8-19-38)35-48(37-16-5-2-6-17-37)53(55(46)54)39-20-9-4-10-21-39/h2-26,29-35H,27-28H2,1H3.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine?
N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine has a molecular weight of 713.92 g/mol, XLogP of 15.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine is sourced from PubChem (CID 59308597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).