3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

C50H34N2O — CID 162770448

IUPAC3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C50H34N2O/c1-4-17-37(18-5-1)51(38-19-6-2-7-20-38)41-30-36(47-32-35-16-10-11-23-43(35)44-24-12-13-25-45(44)47)31-42(33-41)52(39-21-8-3-9-22-39)40-28-29-50-48(34-40)46-26-14-15-27-49(46)53-50/h1-34H
InChIKeyMVNQEBDSLPLDSJ-UHFFFAOYSA-N
MW678.84 g/mol
LogP14.50
Rot. Bonds7

About 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (PubChem CID 162770448) has the molecular formula C50H34N2O and a molecular weight of 678.84 g/mol. Its IUPAC name is 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
PubChem CID162770448
Molecular FormulaC50H34N2O
Molecular Weight678.84 g/mol
Exact Mass678.27
IUPAC Name3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C50H34N2O/c1-4-17-37(18-5-1)51(38-19-6-2-7-20-38)41-30-36(47-32-35-16-10-11-23-43(35)44-24-12-13-25-45(44)47)31-42(33-41)52(39-21-8-3-9-22-39)40-28-29-50-48(34-40)46-26-14-15-27-49(46)53-50/h1-34H
InChIKeyMVNQEBDSLPLDSJ-UHFFFAOYSA-N
XLogP14.50
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-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-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 162770482
3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(2-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162770449
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 163474764
N,N-diphenyldibenzofuran-2-amine
CID 58038469
N-(3-dibenzofuran-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236593
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032207
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301497
2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 135189551

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (CID 162770448) is 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The InChIKey is MVNQEBDSLPLDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O/c1-4-17-37(18-5-1)51(38-19-6-2-7-20-38)41-30-36(47-32-35-16-10-11-23-43(35)44-24-12-13-25-45(44)47)31-42(33-41)52(39-21-8-3-9-22-39)40-28-29-50-48(34-40)46-26-14-15-27-49(46)53-50/h1-34H.
What are the key properties of 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine has a molecular weight of 678.84 g/mol, XLogP of 14.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 162770448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).