N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine

C70H41NOS2 — CID 177294548

IUPACN-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2cc3ccccc3c3sc4ccc(-c5cc6c7ccccc7c7ccccc7c6cc5-c5ccc(N(c6ccc7oc8ccccc8c7c6)c6cccc7sc8ccccc8c67)cc5)cc4c23)cc1
InChIInChI=1S/C70H41NOS2/c1-2-15-42(16-3-1)57-37-44-17-4-5-18-48(44)70-68(57)61-38-45(31-36-66(61)74-70)56-41-59-52-22-9-7-20-50(52)49-19-6-8-21-51(49)58(59)40-55(56)43-29-32-46(33-30-43)71(47-34-35-64-60(39-47)53-23-10-12-26-63(53)72-64)62-25-14-28-67-69(62)54-24-11-13-27-65(54)73-67/h1-41H
InChIKeyJFLQLRYPRAQUMU-UHFFFAOYSA-N
MW976.24 g/mol
LogP21.41
Rot. Bonds6

About N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine

N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine (PubChem CID 177294548) has the molecular formula C70H41NOS2 and a molecular weight of 976.24 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine
PubChem CID177294548
Molecular FormulaC70H41NOS2
Molecular Weight976.24 g/mol
Exact Mass975.26
IUPAC NameN-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2cc3ccccc3c3sc4ccc(-c5cc6c7ccccc7c7ccccc7c6cc5-c5ccc(N(c6ccc7oc8ccccc8c7c6)c6cccc7sc8ccccc8c67)cc5)cc4c23)cc1
InChIInChI=1S/C70H41NOS2/c1-2-15-42(16-3-1)57-37-44-17-4-5-18-48(44)70-68(57)61-38-45(31-36-66(61)74-70)56-41-59-52-22-9-7-20-50(52)49-19-6-8-21-51(49)58(59)40-55(56)43-29-32-46(33-30-43)71(47-34-35-64-60(39-47)53-23-10-12-26-63(53)72-64)62-25-14-28-67-69(62)54-24-11-13-27-65(54)73-67/h1-41H
InChIKeyJFLQLRYPRAQUMU-UHFFFAOYSA-N
XLogP21.41
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.24
LogP ≤ 521.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-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-[4-(3-dibenzofuran-2-yltriphenylen-2-yl)phenyl]-N-dibenzothiophen-1-yldibenzothiophen-3-amine
CID 177294765
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 149256598
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine
CID 146647683
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-1-amine
CID 164955040
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396270
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167236553
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-4-yldibenzofuran-2-amine
CID 170040658
N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164959209
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508758
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-dibenzothiophen-1-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-3-amine
CID 163564489

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine (CID 177294548) is N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine is c1ccc(-c2cc3ccccc3c3sc4ccc(-c5cc6c7ccccc7c7ccccc7c6cc5-c5ccc(N(c6ccc7oc8ccccc8c7c6)c6cccc7sc8ccccc8c67)cc5)cc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine?
The InChIKey is JFLQLRYPRAQUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41NOS2/c1-2-15-42(16-3-1)57-37-44-17-4-5-18-48(44)70-68(57)61-38-45(31-36-66(61)74-70)56-41-59-52-22-9-7-20-50(52)49-19-6-8-21-51(49)58(59)40-55(56)43-29-32-46(33-30-43)71(47-34-35-64-60(39-47)53-23-10-12-26-63(53)72-64)62-25-14-28-67-69(62)54-24-11-13-27-65(54)73-67/h1-41H.
What are the key properties of N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine?
N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine has a molecular weight of 976.24 g/mol, XLogP of 21.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 177294548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).