N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

C58H38N2S — CID 170380092

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)c5cccc6c5sc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C58H38N2S/c1-2-14-40(15-3-1)47-23-11-16-42-17-12-24-48(57(42)47)41-32-36-45(37-33-41)59(55-28-13-25-52-51-22-6-9-29-56(51)61-58(52)55)44-34-30-39(31-35-44)43-18-10-19-46(38-43)60-53-26-7-4-20-49(53)50-21-5-8-27-54(50)60/h1-38H
InChIKeyASXHNSGFBPZOEG-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 170380092) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
PubChem CID170380092
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)c5cccc6c5sc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C58H38N2S/c1-2-14-40(15-3-1)47-23-11-16-42-17-12-24-48(57(42)47)41-32-36-45(37-33-41)59(55-28-13-25-52-51-22-6-9-29-56(51)61-58(52)55)44-34-30-39(31-35-44)43-18-10-19-46(38-43)60-53-26-7-4-20-49(53)50-21-5-8-27-54(50)60/h1-38H
InChIKeyASXHNSGFBPZOEG-UHFFFAOYSA-N
XLogP16.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.02
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 89492334
N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 146579330
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 167087055
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380029
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
N-dibenzothiophen-3-yl-6-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 168814330

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (CID 170380092) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)c5cccc6c5sc5ccccc56)cc4)c23)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is ASXHNSGFBPZOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-2-14-40(15-3-1)47-23-11-16-42-17-12-24-48(57(42)47)41-32-36-45(37-33-41)59(55-28-13-25-52-51-22-6-9-29-56(51)61-58(52)55)44-34-30-39(31-35-44)43-18-10-19-46(38-43)60-53-26-7-4-20-49(53)50-21-5-8-27-54(50)60/h1-38H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 795.02 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 170380092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).