4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine

C68H45NS — CID 168847673

IUPAC4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccc(-c4cccc5ccccc45)c4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C68H45NS/c1-2-17-48(18-3-1)57-25-8-10-27-60(57)61-28-11-9-26-59(61)50-36-40-56(41-37-50)69(55-38-34-47(35-39-55)52-22-14-23-53(44-52)54-33-32-46-16-4-5-20-51(46)45-54)65-43-42-63(62-30-15-21-49-19-6-7-24-58(49)62)68-67(65)64-29-12-13-31-66(64)70-68/h1-45H
InChIKeyJWGOEBFFAWKBLC-UHFFFAOYSA-N
MW908.18 g/mol
LogP19.83
Rot. Bonds9

About 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine

4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine (PubChem CID 168847673) has the molecular formula C68H45NS and a molecular weight of 908.18 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
PubChem CID168847673
Molecular FormulaC68H45NS
Molecular Weight908.18 g/mol
Exact Mass907.33
IUPAC Name4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccc(-c4cccc5ccccc45)c4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C68H45NS/c1-2-17-48(18-3-1)57-25-8-10-27-60(57)61-28-11-9-26-59(61)50-36-40-56(41-37-50)69(55-38-34-47(35-39-55)52-22-14-23-53(44-52)54-33-32-46-16-4-5-20-51(46)45-54)65-43-42-63(62-30-15-21-49-19-6-7-24-58(49)62)68-67(65)64-29-12-13-31-66(64)70-68/h1-45H
InChIKeyJWGOEBFFAWKBLC-UHFFFAOYSA-N
XLogP19.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.18
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]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-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
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-(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
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848106
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 168848021
N-(4-naphthalen-2-ylphenyl)-1-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 175615775
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434428
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine
CID 168847708
N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 157077380

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine (CID 168847673) is 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccc(-c4cccc5ccccc45)c4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
The InChIKey is JWGOEBFFAWKBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NS/c1-2-17-48(18-3-1)57-25-8-10-27-60(57)61-28-11-9-26-59(61)50-36-40-56(41-37-50)69(55-38-34-47(35-39-55)52-22-14-23-53(44-52)54-33-32-46-16-4-5-20-51(46)45-54)65-43-42-63(62-30-15-21-49-19-6-7-24-58(49)62)68-67(65)64-29-12-13-31-66(64)70-68/h1-45H.
What are the key properties of 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine has a molecular weight of 908.18 g/mol, XLogP of 19.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 168847673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).