2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine

C70H49N3 — CID 59754872

IUPAC2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(ccc8cc(N(c9ccccc9)c9ccc(-c%10ccccc%10)cc9)ccc87)c6)ccc54)c3)cc2)cc1
InChIInChI=1S/C70H49N3/c1-6-16-50(17-7-1)52-30-34-61(35-31-52)71(58-20-10-3-11-21-58)63-38-42-67-54(46-63)26-28-56-48-65(40-44-69(56)67)73(60-24-14-5-15-25-60)66-41-45-70-57(49-66)29-27-55-47-64(39-43-68(55)70)72(59-22-12-4-13-23-59)62-36-32-53(33-37-62)51-18-8-2-9-19-51/h1-49H
InChIKeyPAJMWAVTXAKGIT-UHFFFAOYSA-N
MW932.18 g/mol
LogP20.04
Rot. Bonds11

About 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine

2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine (PubChem CID 59754872) has the molecular formula C70H49N3 and a molecular weight of 932.18 g/mol. Its IUPAC name is 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
PubChem CID59754872
Molecular FormulaC70H49N3
Molecular Weight932.18 g/mol
Exact Mass931.39
IUPAC Name2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(ccc8cc(N(c9ccccc9)c9ccc(-c%10ccccc%10)cc9)ccc87)c6)ccc54)c3)cc2)cc1
InChIInChI=1S/C70H49N3/c1-6-16-50(17-7-1)52-30-34-61(35-31-52)71(58-20-10-3-11-21-58)63-38-42-67-54(46-63)26-28-56-48-65(40-44-69(56)67)73(60-24-14-5-15-25-60)66-41-45-70-57(49-66)29-27-55-47-64(39-43-68(55)70)72(59-22-12-4-13-23-59)62-36-32-53(33-37-62)51-18-8-2-9-19-51/h1-49H
InChIKeyPAJMWAVTXAKGIT-UHFFFAOYSA-N
XLogP20.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.18
LogP ≤ 520.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-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

2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754864
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883
2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754912
2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
CID 170410338
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
7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine
CID 118912615

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine?
The IUPAC name of 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine (CID 59754872) is 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine?
The canonical SMILES for 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(ccc8cc(N(c9ccccc9)c9ccc(-c%10ccccc%10)cc9)ccc87)c6)ccc54)c3)cc2)cc1.
What is the InChIKey of 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine?
The InChIKey is PAJMWAVTXAKGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N3/c1-6-16-50(17-7-1)52-30-34-61(35-31-52)71(58-20-10-3-11-21-58)63-38-42-67-54(46-63)26-28-56-48-65(40-44-69(56)67)73(60-24-14-5-15-25-60)66-41-45-70-57(49-66)29-27-55-47-64(39-43-68(55)70)72(59-22-12-4-13-23-59)62-36-32-53(33-37-62)51-18-8-2-9-19-51/h1-49H.
What are the key properties of 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine?
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine has a molecular weight of 932.18 g/mol, XLogP of 20.04, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine is sourced from PubChem (CID 59754872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).