N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine

C42H28N2S — CID 165155518

IUPACN-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine
SMILESc1ccc(-c2ccc3c(c2N(c2ccccc2)c2ccc4c(c2)sc2ccccc24)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2S/c1-4-14-29(15-5-1)33-26-27-38-41(36-21-10-12-22-37(36)44(38)31-18-8-3-9-19-31)42(33)43(30-16-6-2-7-17-30)32-24-25-35-34-20-11-13-23-39(34)45-40(35)28-32/h1-28H
InChIKeyBACHIOVPLCJKCV-UHFFFAOYSA-N
MW592.77 g/mol
LogP12.29
Rot. Bonds5

About N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine

N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine (PubChem CID 165155518) has the molecular formula C42H28N2S and a molecular weight of 592.77 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine
PubChem CID165155518
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC NameN-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine
SMILESc1ccc(-c2ccc3c(c2N(c2ccccc2)c2ccc4c(c2)sc2ccccc24)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2S/c1-4-14-29(15-5-1)33-26-27-38-41(36-21-10-12-22-37(36)44(38)31-18-8-3-9-19-31)42(33)43(30-16-6-2-7-17-30)32-24-25-35-34-20-11-13-23-39(34)45-40(35)28-32/h1-28H
InChIKeyBACHIOVPLCJKCV-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

N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
CID 165155434
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588764
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
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-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 166847694
N-dibenzothiophen-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847666
N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618
N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 166847673

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine (CID 165155518) is N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine is c1ccc(-c2ccc3c(c2N(c2ccccc2)c2ccc4c(c2)sc2ccccc24)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine?
The InChIKey is BACHIOVPLCJKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-4-14-29(15-5-1)33-26-27-38-41(36-21-10-12-22-37(36)44(38)31-18-8-3-9-19-31)42(33)43(30-16-6-2-7-17-30)32-24-25-35-34-20-11-13-23-39(34)45-40(35)28-32/h1-28H.
What are the key properties of N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-amine?
N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-4-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-3-yl-N,3,9-triphenylcarbazol-4-amine is sourced from PubChem (CID 165155518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).