N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine

C54H36N2S — CID 169009594

IUPACN-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5c(-c6ccccc6-c6ccccc6)cccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-15-37(16-5-1)38-27-29-41(30-28-38)55(42-32-34-53-49(35-42)46-23-12-13-26-52(46)57-53)43-31-33-48-51(36-43)56(40-19-8-3-9-20-40)50-25-14-24-47(54(48)50)45-22-11-10-21-44(45)39-17-6-2-7-18-39/h1-36H
InChIKeyKIIJQRXWZIZWOY-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine

N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 169009594) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID169009594
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC NameN-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5c(-c6ccccc6-c6ccccc6)cccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-15-37(16-5-1)38-27-29-41(30-28-38)55(42-32-34-53-49(35-42)46-23-12-13-26-52(46)57-53)43-31-33-48-51(36-43)56(40-19-8-3-9-20-40)50-25-14-24-47(54(48)50)45-22-11-10-21-44(45)39-17-6-2-7-18-39/h1-36H
InChIKeyKIIJQRXWZIZWOY-UHFFFAOYSA-N
XLogP15.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618
N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 164790607
N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 166847673
N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine
CID 163874479
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196056
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169009943
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine (CID 169009594) is N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5c(-c6ccccc6-c6ccccc6)cccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is KIIJQRXWZIZWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-4-15-37(16-5-1)38-27-29-41(30-28-38)55(42-32-34-53-49(35-42)46-23-12-13-26-52(46)57-53)43-31-33-48-51(36-43)56(40-19-8-3-9-20-40)50-25-14-24-47(54(48)50)45-22-11-10-21-44(45)39-17-6-2-7-18-39/h1-36H.
What are the key properties of N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 744.96 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169009594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).