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

C54H35N7S — CID 155328672

IUPAC9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESC1=c2sc3c(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cccc3c2=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C54H35N7S/c1-4-16-34(17-5-1)49-55-50(35-18-6-2-7-19-35)58-53(57-49)42-25-15-29-46-47(42)41-24-14-26-43(48(41)62-46)54-59-51(36-20-8-3-9-21-36)56-52(60-54)37-30-32-38(33-31-37)61-44-27-12-10-22-39(44)40-23-11-13-28-45(40)61/h1-14,16-24,26-33H,15,25H2
InChIKeyGCYOZSFUMCDJIW-UHFFFAOYSA-N
MW813.99 g/mol
LogP11.48
Rot. Bonds7

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

9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 155328672) has the molecular formula C54H35N7S and a molecular weight of 813.99 g/mol. Its IUPAC name is 9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID155328672
Molecular FormulaC54H35N7S
Molecular Weight813.99 g/mol
Exact Mass813.27
IUPAC Name9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESC1=c2sc3c(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cccc3c2=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C54H35N7S/c1-4-16-34(17-5-1)49-55-50(35-18-6-2-7-19-35)58-53(57-49)42-25-15-29-46-47(42)41-24-14-26-43(48(41)62-46)54-59-51(36-20-8-3-9-21-36)56-52(60-54)37-30-32-38(33-31-37)61-44-27-12-10-22-39(44)40-23-11-13-28-45(40)61/h1-14,16-24,26-33H,15,25H2
InChIKeyGCYOZSFUMCDJIW-UHFFFAOYSA-N
XLogP11.48
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.99
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[4-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154602092
9-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
3-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602240
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
9-phenyl-2-[4-phenyl-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 155329903
9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-2-yl]phenyl]-2,7-diphenylcarbazole
CID 134569549
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 155328672) is 9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is C1=c2sc3c(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cccc3c2=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is GCYOZSFUMCDJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N7S/c1-4-16-34(17-5-1)49-55-50(35-18-6-2-7-19-35)58-53(57-49)42-25-15-29-46-47(42)41-24-14-26-43(48(41)62-46)54-59-51(36-20-8-3-9-21-36)56-52(60-54)37-30-32-38(33-31-37)61-44-27-12-10-22-39(44)40-23-11-13-28-45(40)61/h1-14,16-24,26-33H,15,25H2.
What are the key properties of 9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 813.99 g/mol, XLogP of 11.48, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 155328672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).