N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine

C56H35NOS — CID 170065728

IUPACN-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)cc2-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C56H35NOS/c1-3-15-36(16-4-1)48-35-52(49(37-17-5-2-6-18-37)34-51(48)50-31-38-19-7-8-20-41(38)42-21-9-10-22-43(42)50)57(39-27-29-45-44-23-11-13-25-53(44)58-54(45)32-39)40-28-30-47-46-24-12-14-26-55(46)59-56(47)33-40/h1-35H
InChIKeySPYPKDCDOVUHBL-UHFFFAOYSA-N
MW769.97 g/mol
LogP16.73
Rot. Bonds6

About N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine

N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine (PubChem CID 170065728) has the molecular formula C56H35NOS and a molecular weight of 769.97 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine
PubChem CID170065728
Molecular FormulaC56H35NOS
Molecular Weight769.97 g/mol
Exact Mass769.24
IUPAC NameN-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)cc2-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C56H35NOS/c1-3-15-36(16-4-1)48-35-52(49(37-17-5-2-6-18-37)34-51(48)50-31-38-19-7-8-20-41(38)42-21-9-10-22-43(42)50)57(39-27-29-45-44-23-11-13-25-53(44)58-54(45)32-39)40-28-30-47-46-24-12-14-26-55(46)59-56(47)33-40/h1-35H
InChIKeySPYPKDCDOVUHBL-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine
CID 170065793
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-(2-phenyldibenzothiophen-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-4-(4-phenylphenyl)aniline;4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 163873163
2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine
CID 170410775
N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 160677532
N-dibenzothiophen-3-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069315
N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660
N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234545
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 161336699
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167235675

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine (CID 170065728) is N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine is c1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)cc2-c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine?
The InChIKey is SPYPKDCDOVUHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS/c1-3-15-36(16-4-1)48-35-52(49(37-17-5-2-6-18-37)34-51(48)50-31-38-19-7-8-20-41(38)42-21-9-10-22-43(42)50)57(39-27-29-45-44-23-11-13-25-53(44)58-54(45)32-39)40-28-30-47-46-24-12-14-26-55(46)59-56(47)33-40/h1-35H.
What are the key properties of N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine?
N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine has a molecular weight of 769.97 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170065728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).