N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine

C42H28N2S — CID 126700453

IUPACN-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2Nc2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C42H28N2S/c1-3-11-28(12-4-1)35-25-29(19-22-38(35)43-31-21-24-42-37(27-31)34-16-8-10-18-41(34)45-42)30-20-23-40-36(26-30)33-15-7-9-17-39(33)44(40)32-13-5-2-6-14-32/h1-27,43H
InChIKeyULCBTGKCTOQSEQ-UHFFFAOYSA-N
MW592.77 g/mol
LogP12.23
Rot. Bonds5

About N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine

N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 126700453) has the molecular formula C42H28N2S and a molecular weight of 592.77 g/mol. Its IUPAC name is N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
PubChem CID126700453
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC NameN-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2Nc2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C42H28N2S/c1-3-11-28(12-4-1)35-25-29(19-22-38(35)43-31-21-24-42-37(27-31)34-16-8-10-18-41(34)45-42)30-20-23-40-36(26-30)33-15-7-9-17-39(33)44(40)32-13-5-2-6-14-32/h1-27,43H
InChIKeyULCBTGKCTOQSEQ-UHFFFAOYSA-N
XLogP12.23
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.77
LogP ≤ 512.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
CID 118534100
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine (CID 126700453) is N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine is c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2Nc2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is ULCBTGKCTOQSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-3-11-28(12-4-1)35-25-29(19-22-38(35)43-31-21-24-42-37(27-31)34-16-8-10-18-41(34)45-42)30-20-23-40-36(26-30)33-15-7-9-17-39(33)44(40)32-13-5-2-6-14-32/h1-27,43H.
What are the key properties of N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine?
N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 592.77 g/mol, XLogP of 12.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 126700453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).