7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine

C43H32N2S2 — CID 147887960

IUPAC7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine
SMILESCC1(N(c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2cccc3sc4ccccc4c23)C=CC=CC1
InChIInChI=1S/C43H32N2S2/c1-43(26-11-4-12-27-43)45(37-19-13-21-40-42(37)35-18-9-10-20-38(35)46-40)33-22-24-34-36-28-32(23-25-39(36)47-41(34)29-33)44(30-14-5-2-6-15-30)31-16-7-3-8-17-31/h2-26,28-29H,27H2,1H3
InChIKeyIBRYHTQQCJOONM-UHFFFAOYSA-N
MW640.88 g/mol
LogP13.31
Rot. Bonds6

About 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine

7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine (PubChem CID 147887960) has the molecular formula C43H32N2S2 and a molecular weight of 640.88 g/mol. Its IUPAC name is 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine
PubChem CID147887960
Molecular FormulaC43H32N2S2
Molecular Weight640.88 g/mol
Exact Mass640.20
IUPAC Name7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine
SMILESCC1(N(c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2cccc3sc4ccccc4c23)C=CC=CC1
InChIInChI=1S/C43H32N2S2/c1-43(26-11-4-12-27-43)45(37-19-13-21-40-42(37)35-18-9-10-20-38(35)46-40)33-22-24-34-36-28-32(23-25-39(36)47-41(34)29-33)44(30-14-5-2-6-15-30)31-16-7-3-8-17-31/h2-26,28-29H,27H2,1H3
InChIKeyIBRYHTQQCJOONM-UHFFFAOYSA-N
XLogP13.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.88
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[dibenzothiophen-4-yl-(1-methylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 163484374
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
2-N-dibenzothiophen-1-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-naphthalen-1-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159090908
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040
2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 161330703
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine
CID 159001337
1-N-dibenzothiophen-3-yl-1-N,8-N,8-N-triphenyldibenzofuran-1,8-diamine
CID 146573630
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine (CID 147887960) is 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine is CC1(N(c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2cccc3sc4ccccc4c23)C=CC=CC1.
What is the InChIKey of 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine?
The InChIKey is IBRYHTQQCJOONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2S2/c1-43(26-11-4-12-27-43)45(37-19-13-21-40-42(37)35-18-9-10-20-38(35)46-40)33-22-24-34-36-28-32(23-25-39(36)47-41(34)29-33)44(30-14-5-2-6-15-30)31-16-7-3-8-17-31/h2-26,28-29H,27H2,1H3.
What are the key properties of 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine?
7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine has a molecular weight of 640.88 g/mol, XLogP of 13.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine is sourced from PubChem (CID 147887960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).