7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine

C48H31ClN2S2 — CID 146551481

IUPAC7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
SMILESClc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc23)cc2sc3ccccc3c12
InChIInChI=1S/C48H31ClN2S2/c49-43-29-39(31-47-48(43)41-18-10-11-19-44(41)53-47)51(35-16-8-3-9-17-35)38-24-26-40-42-28-37(25-27-45(42)52-46(40)30-38)50(34-14-6-2-7-15-34)36-22-20-33(21-23-36)32-12-4-1-5-13-32/h1-31H
InChIKeyFBLBRJNNVLMUML-UHFFFAOYSA-N
MW735.38 g/mol
LogP15.68
Rot. Bonds7

About 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine

7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine (PubChem CID 146551481) has the molecular formula C48H31ClN2S2 and a molecular weight of 735.38 g/mol. Its IUPAC name is 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
PubChem CID146551481
Molecular FormulaC48H31ClN2S2
Molecular Weight735.38 g/mol
Exact Mass734.16
IUPAC Name7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
SMILESClc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc23)cc2sc3ccccc3c12
InChIInChI=1S/C48H31ClN2S2/c49-43-29-39(31-47-48(43)41-18-10-11-19-44(41)53-47)51(35-16-8-3-9-17-35)38-24-26-40-42-28-37(25-27-45(42)52-46(40)30-38)50(34-14-6-2-7-15-34)36-22-20-33(21-23-36)32-12-4-1-5-13-32/h1-31H
InChIKeyFBLBRJNNVLMUML-UHFFFAOYSA-N
XLogP15.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.38
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-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

7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
CID 155135337
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(37),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28(36),29,31,33-octadecaen-5-amine
CID 130465151
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984

Frequently Asked Questions

What is the IUPAC name of 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine (CID 146551481) is 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine is Clc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc23)cc2sc3ccccc3c12.
What is the InChIKey of 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
The InChIKey is FBLBRJNNVLMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31ClN2S2/c49-43-29-39(31-47-48(43)41-18-10-11-19-44(41)53-47)51(35-16-8-3-9-17-35)38-24-26-40-42-28-37(25-27-45(42)52-46(40)30-38)50(34-14-6-2-7-15-34)36-22-20-33(21-23-36)32-12-4-1-5-13-32/h1-31H.
What are the key properties of 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine has a molecular weight of 735.38 g/mol, XLogP of 15.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine is sourced from PubChem (CID 146551481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).