2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C116H76F6N8S2 — CID 163840125

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5ccc6sc7c(-c8cc9c%10ccccc%10n(-c%10ccc(-c%11ccc%12sc%13ccccc%13c%12c%11)cc%10-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9cc8-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1
InChIInChI=1S/C116H76F6N8S2/c1-65-50-67(3)106(68(4)51-65)79-38-44-85-86-45-39-80(107-69(5)52-66(2)53-70(107)6)61-101(86)130(100(85)60-79)99-47-41-76(59-96(99)114-127-111(73-28-15-9-16-29-73)124-112(128-114)74-30-17-10-18-31-74)78-43-49-105-94(57-78)89-35-23-34-88(108(89)132-105)91-63-92-84-32-19-21-36-97(84)129(102(92)64-90(91)81-54-82(115(117,118)119)62-83(55-81)116(120,121)122)98-46-40-75(77-42-48-104-93(56-77)87-33-20-22-37-103(87)131-104)58-95(98)113-125-109(71-24-11-7-12-25-71)123-110(126-113)72-26-13-8-14-27-72/h7-64H,1-6H3
InChIKeyOLFWUJQOHNHQDH-UHFFFAOYSA-N
MW1760.06 g/mol
LogP32.88
Rot. Bonds14

About 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 163840125) has the molecular formula C116H76F6N8S2 and a molecular weight of 1760.06 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID163840125
Molecular FormulaC116H76F6N8S2
Molecular Weight1760.06 g/mol
Exact Mass1758.55
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5ccc6sc7c(-c8cc9c%10ccccc%10n(-c%10ccc(-c%11ccc%12sc%13ccccc%13c%12c%11)cc%10-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9cc8-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1
InChIInChI=1S/C116H76F6N8S2/c1-65-50-67(3)106(68(4)51-65)79-38-44-85-86-45-39-80(107-69(5)52-66(2)53-70(107)6)61-101(86)130(100(85)60-79)99-47-41-76(59-96(99)114-127-111(73-28-15-9-16-29-73)124-112(128-114)74-30-17-10-18-31-74)78-43-49-105-94(57-78)89-35-23-34-88(108(89)132-105)91-63-92-84-32-19-21-36-97(84)129(102(92)64-90(91)81-54-82(115(117,118)119)62-83(55-81)116(120,121)122)98-46-40-75(77-42-48-104-93(56-77)87-33-20-22-37-103(87)131-104)58-95(98)113-125-109(71-24-11-7-12-25-71)123-110(126-113)72-26-13-8-14-27-72/h7-64H,1-6H3
InChIKeyOLFWUJQOHNHQDH-UHFFFAOYSA-N
XLogP32.88
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001760.06
LogP ≤ 532.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole with MolForge

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Related Compounds

20-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-16-fluoro-9-thia-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 89862285
9-[4-[6-[4-(7-Fluorodibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 117659745
9-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-35-phenyl-18-thia-9,35-diazanonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.022,27.028,33]pentatriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21(34),22,24,26,28,30,32-hexadecaene
CID 117725981
9-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-35-phenyl-12-thia-9,35-diazanonacyclo[18.15.0.02,10.03,8.011,19.013,18.021,34.022,27.028,33]pentatriaconta-1,3,5,7,10,13,15,17,19,21(34),22,24,26,28,30,32-hexadecaene
CID 118634449
3-[9-[6-(8-Fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
CID 121276719
3-[9-[4-(8-Fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276722
3-[9-[6-(8-Fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 121276725
3-[9-[4,6-Bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276727
3-[9-[4-(8-Fluorodibenzothiophen-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276729
3-[9-[4-(8-Fluorodibenzothiophen-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276730
3-[9-[4,6-Bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276732
3-[9-[4,6-Bis(8-fluorodibenzothiophen-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276733

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 163840125) is 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5ccc6sc7c(-c8cc9c%10ccccc%10n(-c%10ccc(-c%11ccc%12sc%13ccccc%13c%12c%11)cc%10-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9cc8-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is OLFWUJQOHNHQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H76F6N8S2/c1-65-50-67(3)106(68(4)51-65)79-38-44-85-86-45-39-80(107-69(5)52-66(2)53-70(107)6)61-101(86)130(100(85)60-79)99-47-41-76(59-96(99)114-127-111(73-28-15-9-16-29-73)124-112(128-114)74-30-17-10-18-31-74)78-43-49-105-94(57-78)89-35-23-34-88(108(89)132-105)91-63-92-84-32-19-21-36-97(84)129(102(92)64-90(91)81-54-82(115(117,118)119)62-83(55-81)116(120,121)122)98-46-40-75(77-42-48-104-93(56-77)87-33-20-22-37-103(87)131-104)58-95(98)113-125-109(71-24-11-7-12-25-71)123-110(126-113)72-26-13-8-14-27-72/h7-64H,1-6H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 1760.06 g/mol, XLogP of 32.88, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-3-[8-[4-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 163840125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).