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

C58H39N — CID 59308019

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6c7c(cccc57)CC6)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C58H39N/c1-4-16-39(17-5-1)51-37-52(40-18-6-2-7-19-40)57-48-25-13-12-24-47(48)53-36-46(32-33-49(53)58(57)56(51)41-20-8-3-9-21-41)59(45-31-29-38-15-10-11-22-44(38)35-45)54-34-30-43-28-27-42-23-14-26-50(54)55(42)43/h1-26,29-37H,27-28H2
InChIKeyCSBKHZGIKQTNEL-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.02
Rot. Bonds6

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

N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine (PubChem CID 59308019) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
PubChem CID59308019
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6c7c(cccc57)CC6)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C58H39N/c1-4-16-39(17-5-1)51-37-52(40-18-6-2-7-19-40)57-48-25-13-12-24-47(48)53-36-46(32-33-49(53)58(57)56(51)41-20-8-3-9-21-41)59(45-31-29-38-15-10-11-22-44(38)35-45)54-34-30-43-28-27-42-23-14-26-50(54)55(42)43/h1-26,29-37H,27-28H2
InChIKeyCSBKHZGIKQTNEL-UHFFFAOYSA-N
XLogP16.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308597
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308865
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
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
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-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine
CID 59308295
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-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
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

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine (CID 59308019) is N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6c7c(cccc57)CC6)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine?
The InChIKey is CSBKHZGIKQTNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-4-16-39(17-5-1)51-37-52(40-18-6-2-7-19-40)57-48-25-13-12-24-47(48)53-36-46(32-33-49(53)58(57)56(51)41-20-8-3-9-21-41)59(45-31-29-38-15-10-11-22-44(38)35-45)54-34-30-43-28-27-42-23-14-26-50(54)55(42)43/h1-26,29-37H,27-28H2.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine?
N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine has a molecular weight of 749.96 g/mol, XLogP of 16.02, 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-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine is sourced from PubChem (CID 59308019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).