N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C76H52N2 — CID 129259019

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 129259019) has the molecular formula C76H52N2 and a molecular weight of 993.27 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
• PubChem CID: 129259019
• Molecular Formula: C76H52N2
• Molecular Weight: 993.27 g/mol
• Exact Mass: 992.41
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc(-c5ccccc5-c5ccccc5)ccc43)cc21
• InChI: InChI=1S/C76H52N2/c1-75(2)65-30-15-11-26-58(65)60-43-42-55(48-70(60)75)77(54-40-36-49(37-41-54)51-39-45-72-64(46-51)61-28-14-18-34-71(61)78(72)53-22-7-4-8-23-53)73-35-19-33-69-74(73)62-29-13-17-32-67(62)76(69)66-31-16-12-27-59(66)63-47-52(38-44-68(63)76)57-25-10-9-24-56(57)50-20-5-3-6-21-50/h3-48H,1-2H3
• InChIKey: UYFQCPXEIFTMCG-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	993.27
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 129259019) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc(-c5ccccc5-c5ccccc5)ccc43)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?

The InChIKey is UYFQCPXEIFTMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N2/c1-75(2)65-30-15-11-26-58(65)60-43-42-55(48-70(60)75)77(54-40-36-49(37-41-54)51-39-45-72-64(46-51)61-28-14-18-34-71(61)78(72)53-22-7-4-8-23-53)73-35-19-33-69-74(73)62-29-13-17-32-67(62)76(69)66-31-16-12-27-59(66)63-47-52(38-44-68(63)76)57-25-10-9-24-56(57)50-20-5-3-6-21-50/h3-48H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 993.27 g/mol, XLogP of 19.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 129259019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).