9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole

C52H38N4OS — CID 166962775

IUPAC9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
SMILESCN1C(c2ccccc2)NC(c2ccccc2)=NC1C1C=c2sc3cccc(-c4ccc5c(c4)oc4cccc(-n6c7ccccc7c7ccccc76)c45)c3c2=CC1
InChIInChI=1S/C52H38N4OS/c1-55-51(33-16-6-3-7-17-33)53-50(32-14-4-2-5-15-32)54-52(55)35-27-29-40-47(31-35)58-46-25-12-20-36(48(40)46)34-26-28-39-45(30-34)57-44-24-13-23-43(49(39)44)56-41-21-10-8-18-37(41)38-19-9-11-22-42(38)56/h2-26,28-31,35,51-52H,27H2,1H3,(H,53,54)
InChIKeyVUJBBXRLFGDAOU-UHFFFAOYSA-N
MW766.97 g/mol
LogP11.15
Rot. Bonds5

About 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole

9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole (PubChem CID 166962775) has the molecular formula C52H38N4OS and a molecular weight of 766.97 g/mol. Its IUPAC name is 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
PubChem CID166962775
Molecular FormulaC52H38N4OS
Molecular Weight766.97 g/mol
Exact Mass766.28
IUPAC Name9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
SMILESCN1C(c2ccccc2)NC(c2ccccc2)=NC1C1C=c2sc3cccc(-c4ccc5c(c4)oc4cccc(-n6c7ccccc7c7ccccc76)c45)c3c2=CC1
InChIInChI=1S/C52H38N4OS/c1-55-51(33-16-6-3-7-17-33)53-50(32-14-4-2-5-15-32)54-52(55)35-27-29-40-47(31-35)58-46-25-12-20-36(48(40)46)34-26-28-39-45(30-34)57-44-24-13-23-43(49(39)44)56-41-21-10-8-18-37(41)38-19-9-11-22-42(38)56/h2-26,28-31,35,51-52H,27H2,1H3,(H,53,54)
InChIKeyVUJBBXRLFGDAOU-UHFFFAOYSA-N
XLogP11.15
TPSA45.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.97
LogP ≤ 511.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole 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-[7-[7-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 163570136
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 169011119
9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole
CID 166962280
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole
CID 146665133
9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole
CID 170286447
9-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]carbazole
CID 176773393
9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
CID 170688529
9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
CID 166962411
3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole
CID 177129529
9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453

Frequently Asked Questions

What is the IUPAC name of 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole (CID 166962775) is 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole is CN1C(c2ccccc2)NC(c2ccccc2)=NC1C1C=c2sc3cccc(-c4ccc5c(c4)oc4cccc(-n6c7ccccc7c7ccccc76)c45)c3c2=CC1.
What is the InChIKey of 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole?
The InChIKey is VUJBBXRLFGDAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4OS/c1-55-51(33-16-6-3-7-17-33)53-50(32-14-4-2-5-15-32)54-52(55)35-27-29-40-47(31-35)58-46-25-12-20-36(48(40)46)34-26-28-39-45(30-34)57-44-24-13-23-43(49(39)44)56-41-21-10-8-18-37(41)38-19-9-11-22-42(38)56/h2-26,28-31,35,51-52H,27H2,1H3,(H,53,54).
What are the key properties of 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole?
9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole has a molecular weight of 766.97 g/mol, XLogP of 11.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[7-(3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazin-4-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 166962775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).