3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole

C95H75N7 — CID 156561672

About 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole

3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 156561672) has the molecular formula C95H75N7 and a molecular weight of 1314.69 g/mol. Its IUPAC name is 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
• PubChem CID: 156561672
• Molecular Formula: C95H75N7
• Molecular Weight: 1314.69 g/mol
• Exact Mass: 1313.61
• IUPAC Name: 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
• SMILES: CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccc(-c6nc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)nc(-c7cccc8c7-c7ccccc7C87C8CC9CC(C8)CC7C9)n6)cc5)cc4)nc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)n3)cccc21
• InChI: InChI=1S/C95H75N7/c1-93(2)77-24-10-7-20-71(77)85-73(22-14-27-81(85)93)91-98-87(96-89(100-91)62-38-40-80-75(52-62)69-18-6-11-25-78(69)94(80)64-44-54-42-55(46-64)47-65(94)45-54)60-34-30-58(31-35-60)59-32-36-61(37-33-59)88-97-90(63-39-41-84-76(53-63)70-19-9-13-29-83(70)102(84)68-16-4-3-5-17-68)101-92(99-88)74-23-15-28-82-86(74)72-21-8-12-26-79(72)95(82)66-48-56-43-57(50-66)51-67(95)49-56/h3-41,52-57,64-67H,42-51H2,1-2H3
• InChIKey: LDQCZWQPWVDCBR-UHFFFAOYSA-N
• XLogP: 22.57
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1314.69
LogP ≤ 5	22.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The IUPAC name of 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 156561672) is 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccc(-c6nc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)nc(-c7cccc8c7-c7ccccc7C87C8CC9CC(C8)CC7C9)n6)cc5)cc4)nc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)n3)cccc21.

What is the InChIKey of 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The InChIKey is LDQCZWQPWVDCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H75N7/c1-93(2)77-24-10-7-20-71(77)85-73(22-14-27-81(85)93)91-98-87(96-89(100-91)62-38-40-80-75(52-62)69-18-6-11-25-78(69)94(80)64-44-54-42-55(46-64)47-65(94)45-54)60-34-30-58(31-35-60)59-32-36-61(37-33-59)88-97-90(63-39-41-84-76(53-63)70-19-9-13-29-83(70)102(84)68-16-4-3-5-17-68)101-92(99-88)74-23-15-28-82-86(74)72-21-8-12-26-79(72)95(82)66-48-56-43-57(50-66)51-67(95)49-56/h3-41,52-57,64-67H,42-51H2,1-2H3.

What are the key properties of 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 1314.69 g/mol, XLogP of 22.57, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 156561672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).