N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C82H52N2 — CID 138655498

About N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 138655498) has the molecular formula C82H52N2 and a molecular weight of 1065.33 g/mol. Its IUPAC name is N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 138655498
• Molecular Formula: C82H52N2
• Molecular Weight: 1065.33 g/mol
• Exact Mass: 1064.41
• IUPAC Name: N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)ccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C82H52N2/c1-4-20-53(21-5-1)54-38-40-60(41-39-54)83(62-42-45-67-66-32-14-17-36-74(66)82(77(67)51-62)72-34-15-12-30-64(72)65-31-13-16-35-73(65)82)61-43-46-68-69-47-44-63(52-76(69)81(75(68)50-61,58-26-6-2-7-27-58)59-28-8-3-9-29-59)84-78-37-19-25-55-24-18-33-70(80(55)78)71-48-56-22-10-11-23-57(56)49-79(71)84/h1-52H
• InChIKey: WCNUSEJJWLEEJE-UHFFFAOYSA-N
• XLogP: 21.29
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.33
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 138655498) is N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)ccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.

What is the InChIKey of N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is WCNUSEJJWLEEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H52N2/c1-4-20-53(21-5-1)54-38-40-60(41-39-54)83(62-42-45-67-66-32-14-17-36-74(66)82(77(67)51-62)72-34-15-12-30-64(72)65-31-13-16-35-73(65)82)61-43-46-68-69-47-44-63(52-76(69)81(75(68)50-61,58-26-6-2-7-27-58)59-28-8-3-9-29-59)84-78-37-19-25-55-24-18-33-70(80(55)78)71-48-56-22-10-11-23-57(56)49-79(71)84/h1-52H.

What are the key properties of N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1065.33 g/mol, XLogP of 21.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 138655498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).