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

C42H28N2S — CID 165155434

IUPACN-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
SMILESc1ccc(-c2cc3c4ccccc4n(-c4ccccc4)c3cc2N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C42H28N2S/c1-4-14-29(15-5-1)36-27-37-33-20-10-12-22-38(33)44(31-18-8-3-9-19-31)40(37)28-39(36)43(30-16-6-2-7-17-30)32-24-25-35-34-21-11-13-23-41(34)45-42(35)26-32/h1-28H
InChIKeyQZRVSDABKMPNAI-UHFFFAOYSA-N
MW592.77 g/mol
LogP12.29
Rot. Bonds5

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

N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine (PubChem CID 165155434) 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-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
PubChem CID165155434
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC NameN-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
SMILESc1ccc(-c2cc3c4ccccc4n(-c4ccccc4)c3cc2N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C42H28N2S/c1-4-14-29(15-5-1)36-27-37-33-20-10-12-22-38(33)44(31-18-8-3-9-19-31)40(37)28-39(36)43(30-16-6-2-7-17-30)32-24-25-35-34-21-11-13-23-41(34)45-42(35)26-32/h1-28H
InChIKeyQZRVSDABKMPNAI-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

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-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 164997385
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-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164976974
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164968900
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine (CID 165155434) is N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine is c1ccc(-c2cc3c4ccccc4n(-c4ccccc4)c3cc2N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine?
The InChIKey is QZRVSDABKMPNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-4-14-29(15-5-1)36-27-37-33-20-10-12-22-38(33)44(31-18-8-3-9-19-31)40(37)28-39(36)43(30-16-6-2-7-17-30)32-24-25-35-34-21-11-13-23-41(34)45-42(35)26-32/h1-28H.
What are the key properties of N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine?
N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-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-2-amine is sourced from PubChem (CID 165155434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).