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

C56H38N4 — CID 58855335

IUPACN,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccccc5)n4)c4c5ccccc5c5ccccc5c34)n2)cc1
InChIInChI=1S/C56H38N4/c1-5-21-39(22-6-1)59(40-23-7-2-8-24-40)51-37-19-35-49(57-51)53-47-33-17-18-34-48(47)54(56-46-32-16-14-30-44(46)43-29-13-15-31-45(43)55(53)56)50-36-20-38-52(58-50)60(41-25-9-3-10-26-41)42-27-11-4-12-28-42/h1-38H
InChIKeyOCBWLGGKKWGNLG-UHFFFAOYSA-N
MW766.95 g/mol
LogP15.36
Rot. Bonds8

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

N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine (PubChem CID 58855335) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine
PubChem CID58855335
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC NameN,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccccc5)n4)c4c5ccccc5c5ccccc5c34)n2)cc1
InChIInChI=1S/C56H38N4/c1-5-21-39(22-6-1)59(40-23-7-2-8-24-40)51-37-19-35-49(57-51)53-47-33-17-18-34-48(47)54(56-46-32-16-14-30-44(46)43-29-13-15-31-45(43)55(53)56)50-36-20-38-52(58-50)60(41-25-9-3-10-26-41)42-27-11-4-12-28-42/h1-38H
InChIKeyOCBWLGGKKWGNLG-UHFFFAOYSA-N
XLogP15.36
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.95
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-N-phenyl-N-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]pyridin-2-amine
CID 59390581
N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine
CID 59390738
6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine
CID 58518337
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine
CID 58855289
6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile
CID 59390733
N-phenyl-6-(1,3-thiazol-2-yl)-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]pyridin-2-amine
CID 140790959
N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
CID 23568249
4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58518338
N,N-diphenyl-4-[9-(6-phenylanthracen-2-yl)benzo[b]triphenylen-14-yl]aniline
CID 58855319
6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
CID 58518421

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine?
The IUPAC name of N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine (CID 58855335) is N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine.
What is the SMILES notation for N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine?
The canonical SMILES for N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine is c1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccccc5)n4)c4c5ccccc5c5ccccc5c34)n2)cc1.
What is the InChIKey of N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine?
The InChIKey is OCBWLGGKKWGNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-5-21-39(22-6-1)59(40-23-7-2-8-24-40)51-37-19-35-49(57-51)53-47-33-17-18-34-48(47)54(56-46-32-16-14-30-44(46)43-29-13-15-31-45(43)55(53)56)50-36-20-38-52(58-50)60(41-25-9-3-10-26-41)42-27-11-4-12-28-42/h1-38H.
What are the key properties of N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine?
N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine has a molecular weight of 766.95 g/mol, XLogP of 15.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine is sourced from PubChem (CID 58855335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).