4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine

C66H42N2S — CID 168848021

IUPAC4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)c5sc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C66H42N2S/c1-2-17-48-42-49(31-30-43(48)14-1)44-32-36-50(37-33-44)67(62-41-40-56(55-25-11-18-45-15-3-5-20-52(45)55)66-65(62)58-23-8-10-29-63(58)69-66)51-38-34-47(35-39-51)54-24-13-28-61-64(54)57-22-7-9-26-60(57)68(61)59-27-12-19-46-16-4-6-21-53(46)59/h1-42H
InChIKeySOTCKZKATIDLCC-UHFFFAOYSA-N
MW895.14 g/mol
LogP19.08
Rot. Bonds7

About 4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine

4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine (PubChem CID 168848021) has the molecular formula C66H42N2S and a molecular weight of 895.14 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
PubChem CID168848021
Molecular FormulaC66H42N2S
Molecular Weight895.14 g/mol
Exact Mass894.31
IUPAC Name4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)c5sc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C66H42N2S/c1-2-17-48-42-49(31-30-43(48)14-1)44-32-36-50(37-33-44)67(62-41-40-56(55-25-11-18-45-15-3-5-20-52(45)55)66-65(62)58-23-8-10-29-63(58)69-66)51-38-34-47(35-39-51)54-24-13-28-61-64(54)57-22-7-9-26-60(57)68(61)59-27-12-19-46-16-4-6-21-53(46)59/h1-42H
InChIKeySOTCKZKATIDLCC-UHFFFAOYSA-N
XLogP19.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.14
LogP ≤ 519.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168847673
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847825
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
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-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847959
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434428
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-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 160918264
N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine
CID 170030867
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 135164558

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine (CID 168848021) is 4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine is c1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)c5sc6ccccc6c45)cc3)ccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine?
The InChIKey is SOTCKZKATIDLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2S/c1-2-17-48-42-49(31-30-43(48)14-1)44-32-36-50(37-33-44)67(62-41-40-56(55-25-11-18-45-15-3-5-20-52(45)55)66-65(62)58-23-8-10-29-63(58)69-66)51-38-34-47(35-39-51)54-24-13-28-61-64(54)57-22-7-9-26-60(57)68(61)59-27-12-19-46-16-4-6-21-53(46)59/h1-42H.
What are the key properties of 4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine?
4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine has a molecular weight of 895.14 g/mol, XLogP of 19.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 168848021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).