N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine

C58H36N2S2 — CID 168781396

IUPACN-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)c4cccc5sc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C58H36N2S2/c1-3-14-38(15-4-1)44-21-11-22-47-48-23-12-25-51(58(48)62-57(44)47)59(50-24-13-27-54-55(50)49-20-9-10-26-53(49)61-54)42-32-28-37(29-33-42)40-31-34-45-46-35-30-39-16-7-8-19-43(39)56(46)60(52(45)36-40)41-17-5-2-6-18-41/h1-36H
InChIKeyVQQQLEYMPWWKGA-UHFFFAOYSA-N
MW825.07 g/mol
LogP17.48
Rot. Bonds6

About N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine

N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 168781396) has the molecular formula C58H36N2S2 and a molecular weight of 825.07 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
PubChem CID168781396
Molecular FormulaC58H36N2S2
Molecular Weight825.07 g/mol
Exact Mass824.23
IUPAC NameN-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)c4cccc5sc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C58H36N2S2/c1-3-14-38(15-4-1)44-21-11-22-47-48-23-12-25-51(58(48)62-57(44)47)59(50-24-13-27-54-55(50)49-20-9-10-26-53(49)61-54)42-32-28-37(29-33-42)40-31-34-45-46-35-30-39-16-7-8-19-43(39)56(46)60(52(45)36-40)41-17-5-2-6-18-41/h1-36H
InChIKeyVQQQLEYMPWWKGA-UHFFFAOYSA-N
XLogP17.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 168781429
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781344
N-(4-dibenzothiophen-1-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168781750
N-phenanthren-9-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781823
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781351
N-(4-phenanthren-3-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781972
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 168781643
N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168782012
N-naphthalen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168782146
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-dibenzothiophen-3-yl-6-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 168814330
4-dibenzothiophen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168781954

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine (CID 168781396) is N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)c4cccc5sc6ccccc6c45)cccc23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is VQQQLEYMPWWKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2S2/c1-3-14-38(15-4-1)44-21-11-22-47-48-23-12-25-51(58(48)62-57(44)47)59(50-24-13-27-54-55(50)49-20-9-10-26-53(49)61-54)42-32-28-37(29-33-42)40-31-34-45-46-35-30-39-16-7-8-19-43(39)56(46)60(52(45)36-40)41-17-5-2-6-18-41/h1-36H.
What are the key properties of N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine?
N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 825.07 g/mol, XLogP of 17.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 168781396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).