12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole

C128H74N8O2S2 — CID 154939196

IUPAC12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6-c6cc(-c8cc9sc%10ccccc%10c9c9c8c8ccccc8n9-c8ccccc8)ccc6C76c7ccccc7Oc7ccccc76)n5)c4)c3)nc(-c3cccc4c3-c3cc(-c5ccc6c(c5)c5ccc7sc8ccccc8c7c5n6-c5ccccc5)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C128H74N8O2S2/c1-5-31-75(32-6-1)121-129-123(133-125(131-121)90-46-29-52-102-114(90)94-72-79(61-65-96(94)127(102)98-48-16-21-55-106(98)137-107-56-22-17-49-99(107)127)80-63-67-105-93(71-80)86-64-68-112-117(88-44-14-25-59-110(88)139-112)119(86)135(105)84-39-9-3-10-40-84)82-37-27-35-77(69-82)78-36-28-38-83(70-78)124-130-122(76-33-7-2-8-34-76)132-126(134-124)91-47-30-53-103-115(91)95-73-81(62-66-97(95)128(103)100-50-18-23-57-108(100)138-109-58-24-19-51-101(109)128)92-74-113-118(89-45-15-26-60-111(89)140-113)120-116(92)87-43-13-20-54-104(87)136(120)85-41-11-4-12-42-85/h1-74H
InChIKeyVUSXVRLEKYDHTP-UHFFFAOYSA-N
MW1820.19 g/mol
LogP32.93
Rot. Bonds11

About 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole

12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole (PubChem CID 154939196) has the molecular formula C128H74N8O2S2 and a molecular weight of 1820.19 g/mol. Its IUPAC name is 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole
PubChem CID154939196
Molecular FormulaC128H74N8O2S2
Molecular Weight1820.19 g/mol
Exact Mass1818.54
IUPAC Name12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6-c6cc(-c8cc9sc%10ccccc%10c9c9c8c8ccccc8n9-c8ccccc8)ccc6C76c7ccccc7Oc7ccccc76)n5)c4)c3)nc(-c3cccc4c3-c3cc(-c5ccc6c(c5)c5ccc7sc8ccccc8c7c5n6-c5ccccc5)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C128H74N8O2S2/c1-5-31-75(32-6-1)121-129-123(133-125(131-121)90-46-29-52-102-114(90)94-72-79(61-65-96(94)127(102)98-48-16-21-55-106(98)137-107-56-22-17-49-99(107)127)80-63-67-105-93(71-80)86-64-68-112-117(88-44-14-25-59-110(88)139-112)119(86)135(105)84-39-9-3-10-40-84)82-37-27-35-77(69-82)78-36-28-38-83(70-78)124-130-122(76-33-7-2-8-34-76)132-126(134-124)91-47-30-53-103-115(91)95-73-81(62-66-97(95)128(103)100-50-18-23-57-108(100)138-109-58-24-19-51-101(109)128)92-74-113-118(89-45-15-26-60-111(89)140-113)120-116(92)87-43-13-20-54-104(87)136(120)85-41-11-4-12-42-85/h1-74H
InChIKeyVUSXVRLEKYDHTP-UHFFFAOYSA-N
XLogP32.93
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001820.19
LogP ≤ 532.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole (CID 154939196) is 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6-c6cc(-c8cc9sc%10ccccc%10c9c9c8c8ccccc8n9-c8ccccc8)ccc6C76c7ccccc7Oc7ccccc76)n5)c4)c3)nc(-c3cccc4c3-c3cc(-c5ccc6c(c5)c5ccc7sc8ccccc8c7c5n6-c5ccccc5)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is VUSXVRLEKYDHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H74N8O2S2/c1-5-31-75(32-6-1)121-129-123(133-125(131-121)90-46-29-52-102-114(90)94-72-79(61-65-96(94)127(102)98-48-16-21-55-106(98)137-107-56-22-17-49-99(107)127)80-63-67-105-93(71-80)86-64-68-112-117(88-44-14-25-59-110(88)139-112)119(86)135(105)84-39-9-3-10-40-84)82-37-27-35-77(69-82)78-36-28-38-83(70-78)124-130-122(76-33-7-2-8-34-76)132-126(134-124)91-47-30-53-103-115(91)95-73-81(62-66-97(95)128(103)100-50-18-23-57-108(100)138-109-58-24-19-51-101(109)128)92-74-113-118(89-45-15-26-60-111(89)140-113)120-116(92)87-43-13-20-54-104(87)136(120)85-41-11-4-12-42-85/h1-74H.
What are the key properties of 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole?
12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 1820.19 g/mol, XLogP of 32.93, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-7-[5-[4-phenyl-6-[3-[3-[4-phenyl-6-[6-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 154939196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).