N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine

C64H41NS2 — CID 168848106

IUPACN-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4ccccc4-c4cccc5sc6ccccc6c45)cc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C64H41NS2/c1-2-14-45(15-3-1)53-40-41-58(63-57-22-9-11-26-60(57)67-64(53)63)65(48-36-32-43(33-37-48)42-28-30-46(31-29-42)51-23-12-17-44-16-4-5-18-50(44)51)49-38-34-47(35-39-49)52-19-6-7-20-54(52)55-24-13-27-61-62(55)56-21-8-10-25-59(56)66-61/h1-41H
InChIKeyPADLGRYZGLVFDY-UHFFFAOYSA-N
MW888.17 g/mol
LogP19.38
Rot. Bonds8

About N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine

N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine (PubChem CID 168848106) has the molecular formula C64H41NS2 and a molecular weight of 888.17 g/mol. Its IUPAC name is N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
PubChem CID168848106
Molecular FormulaC64H41NS2
Molecular Weight888.17 g/mol
Exact Mass887.27
IUPAC NameN-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4ccccc4-c4cccc5sc6ccccc6c45)cc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C64H41NS2/c1-2-14-45(15-3-1)53-40-41-58(63-57-22-9-11-26-60(57)67-64(53)63)65(48-36-32-43(33-37-48)42-28-30-46(31-29-42)51-23-12-17-44-16-4-5-18-50(44)51)49-38-34-47(35-39-49)52-19-6-7-20-54(52)55-24-13-27-61-62(55)56-21-8-10-25-59(56)66-61/h1-41H
InChIKeyPADLGRYZGLVFDY-UHFFFAOYSA-N
XLogP19.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.17
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-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-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847741
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 168847842
4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168848036
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168847673
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167397344
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 168846205
N,N-di(phenanthren-3-yl)-4-phenyldibenzothiophen-1-amine
CID 176821444

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
The IUPAC name of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine (CID 168848106) is N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4ccccc4-c4cccc5sc6ccccc6c45)cc3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
The InChIKey is PADLGRYZGLVFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NS2/c1-2-14-45(15-3-1)53-40-41-58(63-57-22-9-11-26-60(57)67-64(53)63)65(48-36-32-43(33-37-48)42-28-30-46(31-29-42)51-23-12-17-44-16-4-5-18-50(44)51)49-38-34-47(35-39-49)52-19-6-7-20-54(52)55-24-13-27-61-62(55)56-21-8-10-25-59(56)66-61/h1-41H.
What are the key properties of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine has a molecular weight of 888.17 g/mol, XLogP of 19.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 168848106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).