N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine

C58H38N2S — CID 170298472

IUPACN-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5c4c4ccccc4n5-c4ccccc4)c4cccc5sc6ccccc6c45)c23)cc1
InChIInChI=1S/C58H38N2S/c1-3-19-39(20-4-1)42-29-15-21-40-22-16-30-45(56(40)42)43-25-7-11-32-49(43)60(53-36-18-38-55-58(53)48-28-10-14-37-54(48)61-55)50-33-12-8-26-44(50)46-31-17-35-52-57(46)47-27-9-13-34-51(47)59(52)41-23-5-2-6-24-41/h1-38H
InChIKeyASDIAYAXEAPRDN-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine

N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 170298472) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
PubChem CID170298472
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC NameN-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5c4c4ccccc4n5-c4ccccc4)c4cccc5sc6ccccc6c45)c23)cc1
InChIInChI=1S/C58H38N2S/c1-3-19-39(20-4-1)42-29-15-21-40-22-16-30-45(56(40)42)43-25-7-11-32-49(43)60(53-36-18-38-55-58(53)48-28-10-14-37-54(48)61-55)50-33-12-8-26-44(50)46-31-17-35-52-57(46)47-27-9-13-34-51(47)59(52)41-23-5-2-6-24-41/h1-38H
InChIKeyASDIAYAXEAPRDN-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-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170298457
N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170301225
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298758
2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298734
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298563
N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170297284
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651
N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 166847774
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170303290
N-[4-(23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]-N-phenyldibenzothiophen-1-amine
CID 162236061

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine (CID 170298472) is N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5c4c4ccccc4n5-c4ccccc4)c4cccc5sc6ccccc6c45)c23)cc1.
What is the InChIKey of N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is ASDIAYAXEAPRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-3-19-39(20-4-1)42-29-15-21-40-22-16-30-45(56(40)42)43-25-7-11-32-49(43)60(53-36-18-38-55-58(53)48-28-10-14-37-54(48)61-55)50-33-12-8-26-44(50)46-31-17-35-52-57(46)47-27-9-13-34-51(47)59(52)41-23-5-2-6-24-41/h1-38H.
What are the key properties of N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine?
N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-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-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 170298472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).