N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine

C56H35NOS — CID 167236553

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C56H35NOS/c1-2-14-36(15-3-1)43-30-29-40(49-33-39-16-4-5-19-42(39)44-20-6-7-21-45(44)49)34-51(43)57(50-24-13-27-55-56(50)48-23-9-11-26-54(48)59-55)41-18-12-17-37(32-41)38-28-31-47-46-22-8-10-25-52(46)58-53(47)35-38/h1-35H
InChIKeyIPFDSSLQQWAYBS-UHFFFAOYSA-N
MW769.97 g/mol
LogP16.73
Rot. Bonds6

About N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine

N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 167236553) has the molecular formula C56H35NOS and a molecular weight of 769.97 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine
PubChem CID167236553
Molecular FormulaC56H35NOS
Molecular Weight769.97 g/mol
Exact Mass769.24
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C56H35NOS/c1-2-14-36(15-3-1)43-30-29-40(49-33-39-16-4-5-19-42(39)44-20-6-7-21-45(44)49)34-51(43)57(50-24-13-27-55-56(50)48-23-9-11-26-54(48)59-55)41-18-12-17-37(32-41)38-28-31-47-46-22-8-10-25-52(46)58-53(47)35-38/h1-35H
InChIKeyIPFDSSLQQWAYBS-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'}

Analyze N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine 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

N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167235873
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 149256598
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234545
N-(3-dibenzofuran-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236593
N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234647
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 167324053
N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234447
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167235897
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234079
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-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine (CID 167236553) is N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is IPFDSSLQQWAYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS/c1-2-14-36(15-3-1)43-30-29-40(49-33-39-16-4-5-19-42(39)44-20-6-7-21-45(44)49)34-51(43)57(50-24-13-27-55-56(50)48-23-9-11-26-54(48)59-55)41-18-12-17-37(32-41)38-28-31-47-46-22-8-10-25-52(46)58-53(47)35-38/h1-35H.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine?
N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-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-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 167236553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).