3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline

C42H30N2S — CID 163478286

IUPAC3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline
SMILESC1=Cc2c(sc3c2ccc2c3c3ccccc3n2-c2ccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)cc2)CC1
InChIInChI=1S/C42H30N2S/c1-3-13-31(14-4-1)43(32-15-5-2-6-16-32)34-17-11-12-30(28-34)29-22-24-33(25-23-29)44-38-20-9-7-19-37(38)41-39(44)27-26-36-35-18-8-10-21-40(35)45-42(36)41/h1-9,11-20,22-28H,10,21H2
InChIKeyCCIPQNHNZVFTED-UHFFFAOYSA-N
MW594.78 g/mol
LogP12.09
Rot. Bonds5

About 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline

3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline (PubChem CID 163478286) has the molecular formula C42H30N2S and a molecular weight of 594.78 g/mol. Its IUPAC name is 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline
PubChem CID163478286
Molecular FormulaC42H30N2S
Molecular Weight594.78 g/mol
Exact Mass594.21
IUPAC Name3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline
SMILESC1=Cc2c(sc3c2ccc2c3c3ccccc3n2-c2ccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)cc2)CC1
InChIInChI=1S/C42H30N2S/c1-3-13-31(14-4-1)43(32-15-5-2-6-16-32)34-17-11-12-30(28-34)29-22-24-33(25-23-29)44-38-20-9-7-19-37(38)41-39(44)27-26-36-35-18-8-10-21-40(35)45-42(36)41/h1-9,11-20,22-28H,10,21H2
InChIKeyCCIPQNHNZVFTED-UHFFFAOYSA-N
XLogP12.09
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.78
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline 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

5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 144884862
5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 123696000
N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline
CID 118651790
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
CID 88856281
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 138746953
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269

Frequently Asked Questions

What is the IUPAC name of 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline (CID 163478286) is 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline is C1=Cc2c(sc3c2ccc2c3c3ccccc3n2-c2ccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)cc2)CC1.
What is the InChIKey of 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is CCIPQNHNZVFTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2S/c1-3-13-31(14-4-1)43(32-15-5-2-6-16-32)34-17-11-12-30(28-34)29-22-24-33(25-23-29)44-38-20-9-7-19-37(38)41-39(44)27-26-36-35-18-8-10-21-40(35)45-42(36)41/h1-9,11-20,22-28H,10,21H2.
What are the key properties of 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline?
3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 594.78 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 163478286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).