4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline

C64H42N2S — CID 146579330

IUPAC4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C64H42N2S/c1-2-15-44(16-3-1)59-42-48(47-19-12-20-51(41-47)66-60-28-9-6-22-55(60)56-23-7-10-29-61(56)66)35-40-62(59)65(49-36-31-45(32-37-49)53-25-13-18-43-17-4-5-21-52(43)53)50-38-33-46(34-39-50)54-26-14-27-58-57-24-8-11-30-63(57)67-64(54)58/h1-42H
InChIKeyLTNHQWHMSHJCMM-UHFFFAOYSA-N
MW871.12 g/mol
LogP18.44
Rot. Bonds8

About 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline

4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline (PubChem CID 146579330) has the molecular formula C64H42N2S and a molecular weight of 871.12 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
PubChem CID146579330
Molecular FormulaC64H42N2S
Molecular Weight871.12 g/mol
Exact Mass870.31
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C64H42N2S/c1-2-15-44(16-3-1)59-42-48(47-19-12-20-51(41-47)66-60-28-9-6-22-55(60)56-23-7-10-29-61(56)66)35-40-62(59)65(49-36-31-45(32-37-49)53-25-13-18-43-17-4-5-21-52(43)53)50-38-33-46(34-39-50)54-26-14-27-58-57-24-8-11-30-63(57)67-64(54)58/h1-42H
InChIKeyLTNHQWHMSHJCMM-UHFFFAOYSA-N
XLogP18.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.12
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 146578511
3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164968900
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234223
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-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 89492334
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 176608715
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781344
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline (CID 146579330) is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
The InChIKey is LTNHQWHMSHJCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2S/c1-2-15-44(16-3-1)59-42-48(47-19-12-20-51(41-47)66-60-28-9-6-22-55(60)56-23-7-10-29-61(56)66)35-40-62(59)65(49-36-31-45(32-37-49)53-25-13-18-43-17-4-5-21-52(43)53)50-38-33-46(34-39-50)54-26-14-27-58-57-24-8-11-30-63(57)67-64(54)58/h1-42H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline has a molecular weight of 871.12 g/mol, XLogP of 18.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 146579330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).