N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine

C44H28N2S2 — CID 144585459

IUPACN,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3sc4ccc(-c5ccc6c(c5)c5sc7ccccc7c5n6-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C44H28N2S2/c1-4-12-31(13-5-1)45(32-14-6-2-7-15-32)34-22-25-42-37(28-34)36-26-30(21-24-41(36)47-42)29-20-23-39-38(27-29)44-43(35-18-10-11-19-40(35)48-44)46(39)33-16-8-3-9-17-33/h1-28H
InChIKeyYCHVFDVFSHIMJS-UHFFFAOYSA-N
MW648.86 g/mol
LogP13.50
Rot. Bonds5

About N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine

N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine (PubChem CID 144585459) has the molecular formula C44H28N2S2 and a molecular weight of 648.86 g/mol. Its IUPAC name is N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine
PubChem CID144585459
Molecular FormulaC44H28N2S2
Molecular Weight648.86 g/mol
Exact Mass648.17
IUPAC NameN,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3sc4ccc(-c5ccc6c(c5)c5sc7ccccc7c5n6-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C44H28N2S2/c1-4-12-31(13-5-1)45(32-14-6-2-7-15-32)34-22-25-42-37(28-34)36-26-30(21-24-41(36)47-42)29-20-23-39-38(27-29)44-43(35-18-10-11-19-40(35)48-44)46(39)33-16-8-3-9-17-33/h1-28H
InChIKeyYCHVFDVFSHIMJS-UHFFFAOYSA-N
XLogP13.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.86
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine 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-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline
CID 144585475
4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 144585485
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
4-(8,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-3-yl)-N,N-diphenylaniline;N-[4-(8,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(8,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-3-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 161208702
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]anilino)phenyl]benzene-1,3-diamine
CID 164933153
7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828540
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine
CID 122462963
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine?
The IUPAC name of N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine (CID 144585459) is N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine?
The canonical SMILES for N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine is c1ccc(N(c2ccccc2)c2ccc3sc4ccc(-c5ccc6c(c5)c5sc7ccccc7c5n6-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine?
The InChIKey is YCHVFDVFSHIMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2S2/c1-4-12-31(13-5-1)45(32-14-6-2-7-15-32)34-22-25-42-37(28-34)36-26-30(21-24-41(36)47-42)29-20-23-39-38(27-29)44-43(35-18-10-11-19-40(35)48-44)46(39)33-16-8-3-9-17-33/h1-28H.
What are the key properties of N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine?
N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine has a molecular weight of 648.86 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 144585459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).