3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole

C117H71N7O2 — CID 139306956

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole (PubChem CID 139306956) has the molecular formula C117H71N7O2 and a molecular weight of 1606.90 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole.

Molecular Properties

• Compound Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole
• PubChem CID: 139306956
• Molecular Formula: C117H71N7O2
• Molecular Weight: 1606.90 g/mol
• Exact Mass: 1605.57
• IUPAC Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6cc(-c7cccc8c7-c7ccccc7C87c8ccccc8Oc8ccccc87)ccc65)cc4)cc3)cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc3n4-c3ccccc3)n2)cc1
• InChI: InChI=1S/C117H71N7O2/c1-5-26-75(27-6-1)112-118-101(71-102(119-112)81-57-64-105-91(68-81)89-66-78(55-62-103(89)123(105)83-32-11-4-12-33-83)79-54-61-87-86-34-13-15-37-93(86)117(100(87)70-79)97-41-19-23-46-109(97)126-110-47-24-20-42-98(110)117)74-50-48-72(49-51-74)73-52-59-84(60-53-73)124-104-63-56-80(67-90(104)92-69-82(58-65-106(92)124)115-121-113(76-28-7-2-8-29-76)120-114(122-115)77-30-9-3-10-31-77)85-36-25-43-99-111(85)88-35-14-16-38-94(88)116(99)95-39-17-21-44-107(95)125-108-45-22-18-40-96(108)116/h1-71H
• InChIKey: ZHKCKGBWIXVYRS-UHFFFAOYSA-N
• XLogP: 28.80
• TPSA: 92.77 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1606.90
LogP ≤ 5	28.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole?

The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole (CID 139306956) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole.

What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole?

The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole is c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6cc(-c7cccc8c7-c7ccccc7C87c8ccccc8Oc8ccccc87)ccc65)cc4)cc3)cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc3n4-c3ccccc3)n2)cc1.

What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole?

The InChIKey is ZHKCKGBWIXVYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H71N7O2/c1-5-26-75(27-6-1)112-118-101(71-102(119-112)81-57-64-105-91(68-81)89-66-78(55-62-103(89)123(105)83-32-11-4-12-33-83)79-54-61-87-86-34-13-15-37-93(86)117(100(87)70-79)97-41-19-23-46-109(97)126-110-47-24-20-42-98(110)117)74-50-48-72(49-51-74)73-52-59-84(60-53-73)124-104-63-56-80(67-90(104)92-69-82(58-65-106(92)124)115-121-113(76-28-7-2-8-29-76)120-114(122-115)77-30-9-3-10-31-77)85-36-25-43-99-111(85)88-35-14-16-38-94(88)116(99)95-39-17-21-44-107(95)125-108-45-22-18-40-96(108)116/h1-71H.

What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole?

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole has a molecular weight of 1606.90 g/mol, XLogP of 28.80, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-[4-[2-phenyl-6-(9-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole is sourced from PubChem (CID 139306956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).