N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine

C64H40N2S2 — CID 163563367

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4c3sc3ccccc34)cccc2c1
InChIInChI=1S/C64H40N2S2/c1-2-15-48-43(13-1)14-11-21-50(48)55-39-40-59(62-56-19-6-10-26-61(56)68-64(55)62)65(46-37-31-44(32-38-46)49-20-12-22-54-53-18-5-9-25-60(53)67-63(49)54)45-33-27-41(28-34-45)42-29-35-47(36-30-42)66-57-23-7-3-16-51(57)52-17-4-8-24-58(52)66/h1-40H
InChIKeyFTDXVAXHNGUPMU-UHFFFAOYSA-N
MW901.17 g/mol
LogP19.14
Rot. Bonds7

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine (PubChem CID 163563367) has the molecular formula C64H40N2S2 and a molecular weight of 901.17 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
PubChem CID163563367
Molecular FormulaC64H40N2S2
Molecular Weight901.17 g/mol
Exact Mass900.26
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4c3sc3ccccc34)cccc2c1
InChIInChI=1S/C64H40N2S2/c1-2-15-48-43(13-1)14-11-21-50(48)55-39-40-59(62-56-19-6-10-26-61(56)68-64(55)62)65(46-37-31-44(32-38-46)49-20-12-22-54-53-18-5-9-25-60(53)67-63(49)54)45-33-27-41(28-34-45)42-29-35-47(36-30-42)66-57-23-7-3-16-51(57)52-17-4-8-24-58(52)66/h1-40H
InChIKeyFTDXVAXHNGUPMU-UHFFFAOYSA-N
XLogP19.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.17
LogP ≤ 519.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847959
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-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164968900
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 176608715
4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 168848021
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 146579330
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227684
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 146578511
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234223

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine (CID 163563367) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4c3sc3ccccc34)cccc2c1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine?
The InChIKey is FTDXVAXHNGUPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2S2/c1-2-15-48-43(13-1)14-11-21-50(48)55-39-40-59(62-56-19-6-10-26-61(56)68-64(55)62)65(46-37-31-44(32-38-46)49-20-12-22-54-53-18-5-9-25-60(53)67-63(49)54)45-33-27-41(28-34-45)42-29-35-47(36-30-42)66-57-23-7-3-16-51(57)52-17-4-8-24-58(52)66/h1-40H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine has a molecular weight of 901.17 g/mol, XLogP of 19.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine is sourced from PubChem (CID 163563367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).