N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine

C84H65NO — CID 174284982

About N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine

N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 174284982) has the molecular formula C84H65NO and a molecular weight of 1104.45 g/mol. Its IUPAC name is N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 174284982
• Molecular Formula: C84H65NO
• Molecular Weight: 1104.45 g/mol
• Exact Mass: 1103.51
• IUPAC Name: N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
• SMILES: CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(CN(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc31)c1cc(C(C)(C)C)ccc1-2
• InChI: InChI=1S/C84H65NO/c1-80(2,3)56-38-42-64-65-43-39-57(81(4,5)6)49-74(65)84(73(64)48-56)72-35-21-22-36-78(72)86-79-46-37-53(47-77(79)84)52-85(58-40-44-66-62-29-13-17-31-68(62)82(75(66)50-58,54-23-9-7-10-24-54)55-25-11-8-12-26-55)59-41-45-67-63-30-16-20-34-71(63)83(76(67)51-59)69-32-18-14-27-60(69)61-28-15-19-33-70(61)83/h7-51H,52H2,1-6H3
• InChIKey: NNTYJOILIZZCPE-UHFFFAOYSA-N
• XLogP: 20.80
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1104.45
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine (CID 174284982) is N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(CN(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc31)c1cc(C(C)(C)C)ccc1-2.

What is the InChIKey of N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is NNTYJOILIZZCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H65NO/c1-80(2,3)56-38-42-64-65-43-39-57(81(4,5)6)49-74(65)84(73(64)48-56)72-35-21-22-36-78(72)86-79-46-37-53(47-77(79)84)52-85(58-40-44-66-62-29-13-17-31-68(62)82(75(66)50-58,54-23-9-7-10-24-54)55-25-11-8-12-26-55)59-41-45-67-63-30-16-20-34-71(63)83(76(67)51-59)69-32-18-14-27-60(69)61-28-15-19-33-70(61)83/h7-51H,52H2,1-6H3.

What are the key properties of N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?

N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1104.45 g/mol, XLogP of 20.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 174284982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).