N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine

C183H114N6O3 — CID 158471636

About N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine

N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine (PubChem CID 158471636) has the molecular formula C183H114N6O3 and a molecular weight of 2444.96 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine
• PubChem CID: 158471636
• Molecular Formula: C183H114N6O3
• Molecular Weight: 2444.96 g/mol
• Exact Mass: 2442.90
• IUPAC Name: N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)Oc5cccc7c8ccccc8n-6c57)cc4)c4ccc(-c5cccc6ccccc56)cc4)cccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)Oc4cccc6c7ccccc7n-5c46)cc3)c3cccc4ccccc34)cccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)Oc4cccc6c7ccccc7n-5c46)cc3)c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C65H42N2O.2C59H36N2O/c1-3-18-47(19-4-1)65(48-20-5-2-6-21-48)56-27-11-9-24-55(56)63-57(65)28-15-30-60(63)66(50-39-34-45(35-40-50)52-25-13-17-44-16-7-8-22-51(44)52)49-37-32-43(33-38-49)46-36-41-59-62(42-46)68-61-31-14-26-54-53-23-10-12-29-58(53)67(59)64(54)61;1-2-16-41-38(14-1)15-11-27-51(41)60(54-28-13-25-50-57(54)46-20-5-9-24-49(46)59(50)47-22-7-3-17-42(47)43-18-4-8-23-48(43)59)40-33-30-37(31-34-40)39-32-35-53-56(36-39)62-55-29-12-21-45-44-19-6-10-26-52(44)61(53)58(45)55;1-2-13-39-34-42(30-26-37(39)12-1)60(43-31-32-47-46-16-5-9-21-52(46)59(53(47)36-43)50-19-7-3-14-44(50)45-15-4-8-20-51(45)59)41-28-24-38(25-29-41)40-27-33-55-57(35-40)62-56-23-11-18-49-48-17-6-10-22-54(48)61(55)58(49)56/h1-42H;2*1-36H
• InChIKey: HGKKMXNFLZOYEZ-UHFFFAOYSA-N
• XLogP: 48.26
• TPSA: 52.20 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2444.96
LogP ≤ 5	48.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine?

The IUPAC name of N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine (CID 158471636) is N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine?

The canonical SMILES for N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)Oc5cccc7c8ccccc8n-6c57)cc4)c4ccc(-c5cccc6ccccc56)cc4)cccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)Oc4cccc6c7ccccc7n-5c46)cc3)c3cccc4ccccc34)cccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)Oc4cccc6c7ccccc7n-5c46)cc3)c3ccc4ccccc4c3)cc21.

What is the InChIKey of N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine?

The InChIKey is HGKKMXNFLZOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O.2C59H36N2O/c1-3-18-47(19-4-1)65(48-20-5-2-6-21-48)56-27-11-9-24-55(56)63-57(65)28-15-30-60(63)66(50-39-34-45(35-40-50)52-25-13-17-44-16-7-8-22-51(44)52)49-37-32-43(33-38-49)46-36-41-59-62(42-46)68-61-31-14-26-54-53-23-10-12-29-58(53)67(59)64(54)61;1-2-16-41-38(14-1)15-11-27-51(41)60(54-28-13-25-50-57(54)46-20-5-9-24-49(46)59(50)47-22-7-3-17-42(47)43-18-4-8-23-48(43)59)40-33-30-37(31-34-40)39-32-35-53-56(36-39)62-55-29-12-21-45-44-19-6-10-26-52(44)61(53)58(45)55;1-2-13-39-34-42(30-26-37(39)12-1)60(43-31-32-47-46-16-5-9-21-52(46)59(53(47)36-43)50-19-7-3-14-44(50)45-15-4-8-20-51(45)59)41-28-24-38(25-29-41)40-27-33-55-57(35-40)62-56-23-11-18-49-48-17-6-10-22-54(48)61(55)58(49)56/h1-42H;2*1-36H.

What are the key properties of N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine?

N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine has a molecular weight of 2444.96 g/mol, XLogP of 48.26, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 158471636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).