N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine

C62H44N2 — CID 59890187

IUPACN-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine
SMILESC=C/C=C(\C=C1/Cc2ccc(N(c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc2C1)N(c1cccc2ccccc12)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C62H44N2/c1-2-17-49(63(59-32-15-22-43-18-3-9-26-53(43)59)61-40-46-20-5-7-24-51(46)55-28-11-13-30-57(55)61)38-42-36-45-34-35-50(39-48(45)37-42)64(60-33-16-23-44-19-4-10-27-54(44)60)62-41-47-21-6-8-25-52(47)56-29-12-14-31-58(56)62/h2-35,38-41H,1,36-37H2/b42-38+,49-17+
InChIKeyWOXVMVPORPYBRG-HDPWOXAQSA-N
MW817.05 g/mol
LogP17.01
Rot. Bonds8

About N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine

N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine (PubChem CID 59890187) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine
PubChem CID59890187
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC NameN-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine
SMILESC=C/C=C(\C=C1/Cc2ccc(N(c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc2C1)N(c1cccc2ccccc12)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C62H44N2/c1-2-17-49(63(59-32-15-22-43-18-3-9-26-53(43)59)61-40-46-20-5-7-24-51(46)55-28-11-13-30-57(55)61)38-42-36-45-34-35-50(39-48(45)37-42)64(60-33-16-23-44-19-4-10-27-54(44)60)62-41-47-21-6-8-25-52(47)56-29-12-14-31-58(56)62/h2-35,38-41H,1,36-37H2/b42-38+,49-17+
InChIKeyWOXVMVPORPYBRG-HDPWOXAQSA-N
XLogP17.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-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

2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 158670928
N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine
CID 59246329
N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine
CID 59246384
N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine
CID 155067857
[2-[naphthalen-1-yl(phenanthren-9-yl)amino]phenyl]boronic acid
CID 141468575
2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 159424391
5-N-hexa-1,3,5-trien-3-yl-16-N-naphthalen-1-yl-16-N-phenanthren-9-yl-5-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine
CID 123844825
ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 144918413
N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 170398760
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 89068019
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
naphthalene;2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 161142905

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine?
The IUPAC name of N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine (CID 59890187) is N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine is C=C/C=C(\C=C1/Cc2ccc(N(c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc2C1)N(c1cccc2ccccc12)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine?
The InChIKey is WOXVMVPORPYBRG-HDPWOXAQSA-N. The full InChI is InChI=1S/C62H44N2/c1-2-17-49(63(59-32-15-22-43-18-3-9-26-53(43)59)61-40-46-20-5-7-24-51(46)55-28-11-13-30-57(55)61)38-42-36-45-34-35-50(39-48(45)37-42)64(60-33-16-23-44-19-4-10-27-54(44)60)62-41-47-21-6-8-25-52(47)56-29-12-14-31-58(56)62/h2-35,38-41H,1,36-37H2/b42-38+,49-17+.
What are the key properties of N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine?
N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine has a molecular weight of 817.05 g/mol, XLogP of 17.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[(2E)-2-[(2E)-2-[naphthalen-1-yl(phenanthren-9-yl)amino]penta-2,4-dienylidene]-1,3-dihydroinden-5-yl]phenanthren-9-amine is sourced from PubChem (CID 59890187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).