N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine

C54H35NO — CID 169064498

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5ccccc5c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-3-15-38(16-4-1)52-48-22-10-9-20-45(48)46-33-32-43(35-50(46)53(52)39-17-5-2-6-18-39)55(42-31-26-36-14-7-8-19-40(36)34-42)41-29-27-37(28-30-41)44-23-13-24-49-47-21-11-12-25-51(47)56-54(44)49/h1-35H
InChIKeyVDAWDNQCMYABBB-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine (PubChem CID 169064498) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine
PubChem CID169064498
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5ccccc5c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-3-15-38(16-4-1)52-48-22-10-9-20-45(48)46-33-32-43(35-50(46)53(52)39-17-5-2-6-18-39)55(42-31-26-36-14-7-8-19-40(36)34-42)41-29-27-37(28-30-41)44-23-13-24-49-47-21-11-12-25-51(47)56-54(44)49/h1-35H
InChIKeyVDAWDNQCMYABBB-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-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-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine
CID 169063678
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
CID 169064163
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063299
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 169064264
4-[10-[3,5-di(dibenzofuran-4-yl)phenyl]anthracen-9-yl]-N,N-diphenylaniline;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N,N-diphenylnaphthalen-2-amine;4-[4-[3,5-di(dibenzofuran-4-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 159095540
N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
3,5-di(dibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;bis(N-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenylnaphthalen-2-amine);3,5-di(dibenzofuran-4-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 160923165
N-naphthalen-2-yl-18-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050338
N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine (CID 169064498) is N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5ccccc5c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine?
The InChIKey is VDAWDNQCMYABBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-15-38(16-4-1)52-48-22-10-9-20-45(48)46-33-32-43(35-50(46)53(52)39-17-5-2-6-18-39)55(42-31-26-36-14-7-8-19-40(36)34-42)41-29-27-37(28-30-41)44-23-13-24-49-47-21-11-12-25-51(47)56-54(44)49/h1-35H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169064498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).