10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine

C44H29FN2O — CID 170284135

IUPAC10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine
SMILESFc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1
InChIInChI=1S/C44H29FN2O/c45-31-19-21-34(22-20-31)47(36-24-26-44-41(29-36)39-17-9-10-18-43(39)48-44)42-27-30-11-7-8-16-37(30)40-28-35(23-25-38(40)42)46(32-12-3-1-4-13-32)33-14-5-2-6-15-33/h1-29H
InChIKeyQYOISWLKKKHGON-UHFFFAOYSA-N
MW620.73 g/mol
LogP12.97
Rot. Bonds6

About 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine

10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine (PubChem CID 170284135) has the molecular formula C44H29FN2O and a molecular weight of 620.73 g/mol. Its IUPAC name is 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine.

Molecular Properties

Compound Name10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine
PubChem CID170284135
Molecular FormulaC44H29FN2O
Molecular Weight620.73 g/mol
Exact Mass620.23
IUPAC Name10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine
SMILESFc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1
InChIInChI=1S/C44H29FN2O/c45-31-19-21-34(22-20-31)47(36-24-26-44-41(29-36)39-17-9-10-18-43(39)48-44)42-27-30-11-7-8-16-37(30)40-28-35(23-25-38(40)42)46(32-12-3-1-4-13-32)33-14-5-2-6-15-33/h1-29H
InChIKeyQYOISWLKKKHGON-UHFFFAOYSA-N
XLogP12.97
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.73
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine with MolForge

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Related Compounds

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-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
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-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
3-N-dibenzofuran-2-yl-10-N-naphthalen-1-yl-10-N-(4-naphthalen-1-ylphenyl)-3-N-phenylphenanthrene-3,10-diamine
CID 170283773
N,N-diphenyldibenzofuran-2-amine
CID 58038469
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170140340
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526
2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine
CID 170410775

Frequently Asked Questions

What is the IUPAC name of 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine?
The IUPAC name of 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine (CID 170284135) is 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine.
What is the SMILES notation for 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine?
The canonical SMILES for 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine is Fc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1.
What is the InChIKey of 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine?
The InChIKey is QYOISWLKKKHGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29FN2O/c45-31-19-21-34(22-20-31)47(36-24-26-44-41(29-36)39-17-9-10-18-43(39)48-44)42-27-30-11-7-8-16-37(30)40-28-35(23-25-38(40)42)46(32-12-3-1-4-13-32)33-14-5-2-6-15-33/h1-29H.
What are the key properties of 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine?
10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine has a molecular weight of 620.73 g/mol, XLogP of 12.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine is sourced from PubChem (CID 170284135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).