9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine

C54H36N2 — CID 20665524

IUPAC9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
SMILESc1ccc(N(c2c3ccccc3c(N(c3ccccc3)c3cc4ccccc4c4ccccc34)c3ccccc23)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H36N2/c1-3-21-39(22-4-1)55(51-35-37-19-7-9-25-41(37)43-27-11-13-29-45(43)51)53-47-31-15-17-33-49(47)54(50-34-18-16-32-48(50)53)56(40-23-5-2-6-24-40)52-36-38-20-8-10-26-42(38)44-28-12-14-30-46(44)52/h1-36H
InChIKeyLYRSGJFSQWFVSY-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.55
Rot. Bonds6

About 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine

9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine (PubChem CID 20665524) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
PubChem CID20665524
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
SMILESc1ccc(N(c2c3ccccc3c(N(c3ccccc3)c3cc4ccccc4c4ccccc34)c3ccccc23)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H36N2/c1-3-21-39(22-4-1)55(51-35-37-19-7-9-25-41(37)43-27-11-13-29-45(43)51)53-47-31-15-17-33-49(47)54(50-34-18-16-32-48(50)53)56(40-23-5-2-6-24-40)52-36-38-20-8-10-26-42(38)44-28-12-14-30-46(44)52/h1-36H
InChIKeyLYRSGJFSQWFVSY-UHFFFAOYSA-N
XLogP15.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine 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

1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
6-N,11-N-di(phenanthren-9-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262487
4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263128
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-methyl-N-phenylphenanthren-9-amine
CID 22944746
N-ethyl-N-phenylphenanthren-9-amine
CID 126656555
N,N-bis(4-tert-butylphenyl)phenanthren-9-amine
CID 177481694
N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
CID 59690812

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine (CID 20665524) is 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine is c1ccc(N(c2c3ccccc3c(N(c3ccccc3)c3cc4ccccc4c4ccccc34)c3ccccc23)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine?
The InChIKey is LYRSGJFSQWFVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-21-39(22-4-1)55(51-35-37-19-7-9-25-41(37)43-27-11-13-29-45(43)51)53-47-31-15-17-33-49(47)54(50-34-18-16-32-48(50)53)56(40-23-5-2-6-24-40)52-36-38-20-8-10-26-42(38)44-28-12-14-30-46(44)52/h1-36H.
What are the key properties of 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine?
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine has a molecular weight of 712.90 g/mol, XLogP of 15.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine is sourced from PubChem (CID 20665524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).