N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine

C58H38N2S — CID 118349368

IUPACN-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc3cc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4)ccc3c2)cc1
InChIInChI=1S/C58H38N2S/c1-4-14-39(15-5-1)40-24-25-42-33-43(27-26-41(42)32-40)45-34-46(44-28-30-52-51-20-10-12-22-55(51)60(56(52)37-44)48-18-8-3-9-19-48)36-50(35-45)59(47-16-6-2-7-17-47)49-29-31-58-54(38-49)53-21-11-13-23-57(53)61-58/h1-38H
InChIKeyHEVXMJNMLHCQCI-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine

N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 118349368) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
PubChem CID118349368
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC NameN-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc3cc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4)ccc3c2)cc1
InChIInChI=1S/C58H38N2S/c1-4-14-39(15-5-1)40-24-25-42-33-43(27-26-41(42)32-40)45-34-46(44-28-30-52-51-20-10-12-22-55(51)60(56(52)37-44)48-18-8-3-9-19-48)36-50(35-45)59(47-16-6-2-7-17-47)49-29-31-58-54(38-49)53-21-11-13-23-57(53)61-58/h1-38H
InChIKeyHEVXMJNMLHCQCI-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-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 144990462
N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 144888534
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664119
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
5-[7-[dibenzothiophen-2-yl(naphthalen-2-yl)amino]-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588754
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine (CID 118349368) is N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine is c1ccc(-c2ccc3cc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4)ccc3c2)cc1.
What is the InChIKey of N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is HEVXMJNMLHCQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-4-14-39(15-5-1)40-24-25-42-33-43(27-26-41(42)32-40)45-34-46(44-28-30-52-51-20-10-12-22-55(51)60(56(52)37-44)48-18-8-3-9-19-48)36-50(35-45)59(47-16-6-2-7-17-47)49-29-31-58-54(38-49)53-21-11-13-23-57(53)61-58/h1-38H.
What are the key properties of N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-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-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 118349368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).