3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C201H126N6 — CID 161145854

About 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 161145854) has the molecular formula C201H126N6 and a molecular weight of 2625.26 g/mol. Its IUPAC name is 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 161145854
• Molecular Formula: C201H126N6
• Molecular Weight: 2625.26 g/mol
• Exact Mass: 2623.00
• IUPAC Name: 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc2c(c1)-c1c(-c3c4cccc(-c5ccc6c7ccccc7n7c8ccccc8c5c67)c4cc4c(-c5ccc6c7ccccc7n7c8ccccc8c5c67)cccc34)cccc1C21CCCC1.c1ccc2c(c1)-c1c(-c3c4cccc(-c5cccc6c5c5cccc7c8ccccc8n6c75)c4cc4c(-c5cccc6c5c5cccc7c8ccccc8n6c75)cccc34)cccc1C21CCCC1.c1ccc2c(c1)-c1c(-c3c4cccc(-c5cccc6c7cccc8c9ccccc9n(c56)c87)c4cc4c(-c5cccc6c7cccc8c9ccccc9n(c56)c87)cccc34)cccc1C21CCCC1
• InChI: InChI=1S/3C67H42N2/c1-6-26-55-49(18-1)62-52(25-15-27-56(62)67(55)36-11-12-37-67)61-43-23-13-21-39(45-32-34-47-41-16-2-7-28-57(41)68-59-30-9-4-19-50(59)63(45)65(47)68)53(43)38-54-40(22-14-24-44(54)61)46-33-35-48-42-17-3-8-29-58(42)69-60-31-10-5-20-51(60)64(46)66(48)69;1-4-30-55-49(18-1)62-50(27-13-31-56(62)67(55)36-7-8-37-67)61-45-21-9-19-39(43-23-14-34-59-63(43)51-28-11-25-47-41-16-2-5-32-57(41)68(59)65(47)51)53(45)38-54-40(20-10-22-46(54)61)44-24-15-35-60-64(44)52-29-12-26-48-42-17-3-6-33-58(42)69(60)66(48)52;1-4-32-57-53(18-1)62-54(31-15-33-58(62)67(57)36-7-8-37-67)61-43-21-9-19-39(45-23-11-27-49-51-29-13-25-47-41-16-2-5-34-59(41)68(63(45)49)65(47)51)55(43)38-56-40(20-10-22-44(56)61)46-24-12-28-50-52-30-14-26-48-42-17-3-6-35-60(42)69(64(46)50)66(48)52/h1-10,13-35,38H,11-12,36-37H2;2*1-6,9-35,38H,7-8,36-37H2
• InChIKey: UOAOZEFKSVWQLB-UHFFFAOYSA-N
• XLogP: 54.40
• TPSA: 26.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2625.26
LogP ≤ 5	54.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 161145854) is 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc2c(c1)-c1c(-c3c4cccc(-c5ccc6c7ccccc7n7c8ccccc8c5c67)c4cc4c(-c5ccc6c7ccccc7n7c8ccccc8c5c67)cccc34)cccc1C21CCCC1.c1ccc2c(c1)-c1c(-c3c4cccc(-c5cccc6c5c5cccc7c8ccccc8n6c75)c4cc4c(-c5cccc6c5c5cccc7c8ccccc8n6c75)cccc34)cccc1C21CCCC1.c1ccc2c(c1)-c1c(-c3c4cccc(-c5cccc6c7cccc8c9ccccc9n(c56)c87)c4cc4c(-c5cccc6c7cccc8c9ccccc9n(c56)c87)cccc34)cccc1C21CCCC1.

What is the InChIKey of 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is UOAOZEFKSVWQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C67H42N2/c1-6-26-55-49(18-1)62-52(25-15-27-56(62)67(55)36-11-12-37-67)61-43-23-13-21-39(45-32-34-47-41-16-2-7-28-57(41)68-59-30-9-4-19-50(59)63(45)65(47)68)53(43)38-54-40(22-14-24-44(54)61)46-33-35-48-42-17-3-8-29-58(42)69-60-31-10-5-20-51(60)64(46)66(48)69;1-4-30-55-49(18-1)62-50(27-13-31-56(62)67(55)36-7-8-37-67)61-45-21-9-19-39(43-23-14-34-59-63(43)51-28-11-25-47-41-16-2-5-32-57(41)68(59)65(47)51)53(45)38-54-40(20-10-22-46(54)61)44-24-15-35-60-64(44)52-29-12-26-48-42-17-3-6-33-58(42)69(60)66(48)52;1-4-32-57-53(18-1)62-54(31-15-33-58(62)67(57)36-7-8-37-67)61-43-21-9-19-39(45-23-11-27-49-51-29-13-25-47-41-16-2-5-34-59(41)68(63(45)49)65(47)51)55(43)38-56-40(20-10-22-44(56)61)46-24-12-28-50-52-30-14-26-48-42-17-3-6-35-60(42)69(64(46)50)66(48)52/h1-10,13-35,38H,11-12,36-37H2;2*1-6,9-35,38H,7-8,36-37H2.

What are the key properties of 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 2625.26 g/mol, XLogP of 54.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 161145854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).