N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine

C42H28N2S — CID 155051682

IUPACN-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
SMILESc1ccc(-c2cc3c(cc2N(c2ccccc2)c2cccc4sc5ccccc5c24)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2S/c1-4-15-29(16-5-1)34-27-39-35(32-21-10-12-23-36(32)43(39)30-17-6-2-7-18-30)28-38(34)44(31-19-8-3-9-20-31)37-24-14-26-41-42(37)33-22-11-13-25-40(33)45-41/h1-28H
InChIKeySSJXQLLIXQDHPC-UHFFFAOYSA-N
MW592.77 g/mol
LogP12.29
Rot. Bonds5

About N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine

N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine (PubChem CID 155051682) has the molecular formula C42H28N2S and a molecular weight of 592.77 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
PubChem CID155051682
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC NameN-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
SMILESc1ccc(-c2cc3c(cc2N(c2ccccc2)c2cccc4sc5ccccc5c24)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2S/c1-4-15-29(16-5-1)34-27-39-35(32-21-10-12-23-36(32)43(39)30-17-6-2-7-18-30)28-38(34)44(31-19-8-3-9-20-31)37-24-14-26-41-42(37)33-22-11-13-25-40(33)45-41/h1-28H
InChIKeySSJXQLLIXQDHPC-UHFFFAOYSA-N
XLogP12.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.77
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 164997385
N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
CID 165155434
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170298457
N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167236455
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 168809308
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997472
N-(4-dibenzothiophen-1-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788998

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine (CID 155051682) is N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine is c1ccc(-c2cc3c(cc2N(c2ccccc2)c2cccc4sc5ccccc5c24)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine?
The InChIKey is SSJXQLLIXQDHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-4-15-29(16-5-1)34-27-39-35(32-21-10-12-23-36(32)43(39)30-17-6-2-7-18-30)28-38(34)44(31-19-8-3-9-20-31)37-24-14-26-41-42(37)33-22-11-13-25-40(33)45-41/h1-28H.
What are the key properties of N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine?
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine has a molecular weight of 592.77 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine is sourced from PubChem (CID 155051682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).