6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine

C51H33NO2 — CID 163975167

IUPAC6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine
SMILESc1ccc(C(c2ccccc2)c2cccc3c2oc2cccc(N(c4ccc5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)c23)cc1
InChIInChI=1S/C51H33NO2/c1-3-15-33(16-4-1)49(34-17-5-2-6-18-34)41-24-13-25-42-50-44(26-14-28-48(50)54-51(41)42)52(36-29-30-47-43(32-36)40-23-11-12-27-46(40)53-47)45-31-35-19-7-8-20-37(35)38-21-9-10-22-39(38)45/h1-32,49H
InChIKeySTLKQRCZJMRSQF-UHFFFAOYSA-N
MW691.83 g/mol
LogP14.44
Rot. Bonds6

About 6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine

6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine (PubChem CID 163975167) has the molecular formula C51H33NO2 and a molecular weight of 691.83 g/mol. Its IUPAC name is 6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine.

Molecular Properties

Compound Name6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine
PubChem CID163975167
Molecular FormulaC51H33NO2
Molecular Weight691.83 g/mol
Exact Mass691.25
IUPAC Name6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine
SMILESc1ccc(C(c2ccccc2)c2cccc3c2oc2cccc(N(c4ccc5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)c23)cc1
InChIInChI=1S/C51H33NO2/c1-3-15-33(16-4-1)49(34-17-5-2-6-18-34)41-24-13-25-42-50-44(26-14-28-48(50)54-51(41)42)52(36-29-30-47-43(32-36)40-23-11-12-27-46(40)53-47)45-31-35-19-7-8-20-37(35)38-21-9-10-22-39(38)45/h1-32,49H
InChIKeySTLKQRCZJMRSQF-UHFFFAOYSA-N
XLogP14.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 155305684
N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804116
N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine
CID 170410722
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine
CID 90262676
N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 121325451
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 167324318
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-phenanthren-3-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277186

Frequently Asked Questions

What is the IUPAC name of 6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine?
The IUPAC name of 6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine (CID 163975167) is 6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine.
What is the SMILES notation for 6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine?
The canonical SMILES for 6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine is c1ccc(C(c2ccccc2)c2cccc3c2oc2cccc(N(c4ccc5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)c23)cc1.
What is the InChIKey of 6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine?
The InChIKey is STLKQRCZJMRSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO2/c1-3-15-33(16-4-1)49(34-17-5-2-6-18-34)41-24-13-25-42-50-44(26-14-28-48(50)54-51(41)42)52(36-29-30-47-43(32-36)40-23-11-12-27-46(40)53-47)45-31-35-19-7-8-20-37(35)38-21-9-10-22-39(38)45/h1-32,49H.
What are the key properties of 6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine?
6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine has a molecular weight of 691.83 g/mol, XLogP of 14.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine is sourced from PubChem (CID 163975167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).