5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole

C114H65F12N7S — CID 155447658

IUPAC5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4sc5cc(-c6ccc7c8ccc9c(c%10ccccc%10n9-c9c(-c%10ccc(C(F)(F)F)cc%10)cc(-c%10cc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9-c9ccc(C(F)(F)F)cc9)c8n(-c8ccccc8)c7c6)ccc5c4ccc32)cc1
InChIInChI=1S/C114H65F12N7S/c115-111(116,117)78-44-34-66(35-45-78)89-58-76(95-64-93(70-20-6-1-7-21-70)127-109(129-95)72-24-10-3-11-25-72)59-90(67-36-46-79(47-37-67)112(118,119)120)105(89)132-97-32-18-16-30-87(97)103-99(132)56-54-85-83-52-42-74(62-101(83)131(107(85)103)82-28-14-5-15-29-82)75-43-53-84-86-55-57-100-104(108(86)134-102(84)63-75)88-31-17-19-33-98(88)133(100)106-91(68-38-48-80(49-39-68)113(121,122)123)60-77(61-92(106)69-40-50-81(51-41-69)114(124,125)126)96-65-94(71-22-8-2-9-23-71)128-110(130-96)73-26-12-4-13-27-73/h1-65H
InChIKeyZTRVMUZQHHBMTD-UHFFFAOYSA-N
MW1792.87 g/mol
LogP33.34
Rot. Bonds14

About 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole

5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 155447658) has the molecular formula C114H65F12N7S and a molecular weight of 1792.87 g/mol. Its IUPAC name is 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID155447658
Molecular FormulaC114H65F12N7S
Molecular Weight1792.87 g/mol
Exact Mass1791.48
IUPAC Name5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4sc5cc(-c6ccc7c8ccc9c(c%10ccccc%10n9-c9c(-c%10ccc(C(F)(F)F)cc%10)cc(-c%10cc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9-c9ccc(C(F)(F)F)cc9)c8n(-c8ccccc8)c7c6)ccc5c4ccc32)cc1
InChIInChI=1S/C114H65F12N7S/c115-111(116,117)78-44-34-66(35-45-78)89-58-76(95-64-93(70-20-6-1-7-21-70)127-109(129-95)72-24-10-3-11-25-72)59-90(67-36-46-79(47-37-67)112(118,119)120)105(89)132-97-32-18-16-30-87(97)103-99(132)56-54-85-83-52-42-74(62-101(83)131(107(85)103)82-28-14-5-15-29-82)75-43-53-84-86-55-57-100-104(108(86)134-102(84)63-75)88-31-17-19-33-98(88)133(100)106-91(68-38-48-80(49-39-68)113(121,122)123)60-77(61-92(106)69-40-50-81(51-41-69)114(124,125)126)96-65-94(71-22-8-2-9-23-71)128-110(130-96)73-26-12-4-13-27-73/h1-65H
InChIKeyZTRVMUZQHHBMTD-UHFFFAOYSA-N
XLogP33.34
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001792.87
LogP ≤ 533.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole (CID 155447658) is 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole is FC(F)(F)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4sc5cc(-c6ccc7c8ccc9c(c%10ccccc%10n9-c9c(-c%10ccc(C(F)(F)F)cc%10)cc(-c%10cc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9-c9ccc(C(F)(F)F)cc9)c8n(-c8ccccc8)c7c6)ccc5c4ccc32)cc1.
What is the InChIKey of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is ZTRVMUZQHHBMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H65F12N7S/c115-111(116,117)78-44-34-66(35-45-78)89-58-76(95-64-93(70-20-6-1-7-21-70)127-109(129-95)72-24-10-3-11-25-72)59-90(67-36-46-79(47-37-67)112(118,119)120)105(89)132-97-32-18-16-30-87(97)103-99(132)56-54-85-83-52-42-74(62-101(83)131(107(85)103)82-28-14-5-15-29-82)75-43-53-84-86-55-57-100-104(108(86)134-102(84)63-75)88-31-17-19-33-98(88)133(100)106-91(68-38-48-80(49-39-68)113(121,122)123)60-77(61-92(106)69-40-50-81(51-41-69)114(124,125)126)96-65-94(71-22-8-2-9-23-71)128-110(130-96)73-26-12-4-13-27-73/h1-65H.
What are the key properties of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole?
5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1792.87 g/mol, XLogP of 33.34, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 155447658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).