N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine

C56H35NOS — CID 167234647

IUPACN-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C56H35NOS/c1-2-15-36(16-3-1)42-32-31-39(50-34-38-17-4-5-20-41(38)44-21-6-7-22-45(44)50)35-52(42)57(51-28-14-26-48-46-23-8-10-29-53(46)58-55(48)51)40-19-12-18-37(33-40)43-25-13-27-49-47-24-9-11-30-54(47)59-56(43)49/h1-35H
InChIKeySMVDQGIRLQOYDT-UHFFFAOYSA-N
MW769.97 g/mol
LogP16.73
Rot. Bonds6

About N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine

N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 167234647) has the molecular formula C56H35NOS and a molecular weight of 769.97 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine
PubChem CID167234647
Molecular FormulaC56H35NOS
Molecular Weight769.97 g/mol
Exact Mass769.24
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C56H35NOS/c1-2-15-36(16-3-1)42-32-31-39(50-34-38-17-4-5-20-41(38)44-21-6-7-22-45(44)50)35-52(42)57(51-28-14-26-48-46-23-8-10-29-53(46)58-55(48)51)40-19-12-18-37(33-40)43-25-13-27-49-47-24-9-11-30-54(47)59-56(43)49/h1-35H
InChIKeySMVDQGIRLQOYDT-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-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 155624044
N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397233
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163970768
N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234646
N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167236553
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline
CID 163459779
N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167235763
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 163685896

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine (CID 167234647) is N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is SMVDQGIRLQOYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS/c1-2-15-36(16-3-1)42-32-31-39(50-34-38-17-4-5-20-41(38)44-21-6-7-22-45(44)50)35-52(42)57(51-28-14-26-48-46-23-8-10-29-53(46)58-55(48)51)40-19-12-18-37(33-40)43-25-13-27-49-47-24-9-11-30-54(47)59-56(43)49/h1-35H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine?
N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-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-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167234647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).