N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine

C66H44N2 — CID 58855289

IUPACN,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5)c5c6ccccc6c6ccccc6c45)ccc3c2)cc1
InChIInChI=1S/C66H44N2/c1-5-19-51(20-6-1)67(52-21-7-2-8-22-52)55-39-37-45-41-49(35-33-47(45)43-55)63-61-31-17-18-32-62(61)64(66-60-30-16-14-28-58(60)57-27-13-15-29-59(57)65(63)66)50-36-34-48-44-56(40-38-46(48)42-50)68(53-23-9-3-10-24-53)54-25-11-4-12-26-54/h1-44H
InChIKeyRSMBWHRANRPJQR-UHFFFAOYSA-N
MW865.09 g/mol
LogP18.88
Rot. Bonds8

About N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine

N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine (PubChem CID 58855289) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine
PubChem CID58855289
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC NameN,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5)c5c6ccccc6c6ccccc6c45)ccc3c2)cc1
InChIInChI=1S/C66H44N2/c1-5-19-51(20-6-1)67(52-21-7-2-8-22-52)55-39-37-45-41-49(35-33-47(45)43-55)63-61-31-17-18-32-62(61)64(66-60-30-16-14-28-58(60)57-27-13-15-29-59(57)65(63)66)50-36-34-48-44-56(40-38-46(48)42-50)68(53-23-9-3-10-24-53)54-25-11-4-12-26-54/h1-44H
InChIKeyRSMBWHRANRPJQR-UHFFFAOYSA-N
XLogP18.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.09
LogP ≤ 518.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-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,N-diphenyl-4-[9-(6-phenylanthracen-2-yl)benzo[b]triphenylen-14-yl]aniline
CID 58855319
6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
CID 58875999
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine
CID 143540583
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
CID 58690845
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N,N,4,11-tetraphenylhexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
CID 166032864
17-phenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033349
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine?
The IUPAC name of N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine (CID 58855289) is N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine.
What is the SMILES notation for N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine?
The canonical SMILES for N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine is c1ccc(N(c2ccccc2)c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5)c5c6ccccc6c6ccccc6c45)ccc3c2)cc1.
What is the InChIKey of N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine?
The InChIKey is RSMBWHRANRPJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-5-19-51(20-6-1)67(52-21-7-2-8-22-52)55-39-37-45-41-49(35-33-47(45)43-55)63-61-31-17-18-32-62(61)64(66-60-30-16-14-28-58(60)57-27-13-15-29-59(57)65(63)66)50-36-34-48-44-56(40-38-46(48)42-50)68(53-23-9-3-10-24-53)54-25-11-4-12-26-54/h1-44H.
What are the key properties of N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine?
N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine has a molecular weight of 865.09 g/mol, XLogP of 18.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine is sourced from PubChem (CID 58855289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).