10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline

C48H31N5S — CID 155019034

IUPAC10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4sc5c(c4c3)-c3ccccc3NC5c3ccccc3)n2)cc1
InChIInChI=1S/C48H31N5S/c1-3-13-30(14-4-1)44-45-43(37-19-7-10-20-39(37)49-44)38-29-33(25-28-42(38)54-45)48-51-46(31-15-5-2-6-16-31)50-47(52-48)32-23-26-34(27-24-32)53-40-21-11-8-17-35(40)36-18-9-12-22-41(36)53/h1-29,44,49H
InChIKeyQKKSXJBBJFBHET-UHFFFAOYSA-N
MW709.88 g/mol
LogP12.37
Rot. Bonds5

About 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline

10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline (PubChem CID 155019034) has the molecular formula C48H31N5S and a molecular weight of 709.88 g/mol. Its IUPAC name is 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline
PubChem CID155019034
Molecular FormulaC48H31N5S
Molecular Weight709.88 g/mol
Exact Mass709.23
IUPAC Name10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4sc5c(c4c3)-c3ccccc3NC5c3ccccc3)n2)cc1
InChIInChI=1S/C48H31N5S/c1-3-13-30(14-4-1)44-45-43(37-19-7-10-20-39(37)49-44)38-29-33(25-28-42(38)54-45)48-51-46(31-15-5-2-6-16-31)50-47(52-48)32-23-26-34(27-24-32)53-40-21-11-8-17-35(40)36-18-9-12-22-41(36)53/h1-29,44,49H
InChIKeyQKKSXJBBJFBHET-UHFFFAOYSA-N
XLogP12.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.88
LogP ≤ 512.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline 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

9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
9-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534530
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-2-yl]carbazole
CID 169010773
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664265
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline (CID 155019034) is 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4sc5c(c4c3)-c3ccccc3NC5c3ccccc3)n2)cc1.
What is the InChIKey of 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is QKKSXJBBJFBHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5S/c1-3-13-30(14-4-1)44-45-43(37-19-7-10-20-39(37)49-44)38-29-33(25-28-42(38)54-45)48-51-46(31-15-5-2-6-16-31)50-47(52-48)32-23-26-34(27-24-32)53-40-21-11-8-17-35(40)36-18-9-12-22-41(36)53/h1-29,44,49H.
What are the key properties of 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline?
10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 709.88 g/mol, XLogP of 12.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 155019034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).