9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine

C239H180N8O3 — CID 160811020

About 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine

9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine (PubChem CID 160811020) has the molecular formula C239H180N8O3 and a molecular weight of 3212.12 g/mol. Its IUPAC name is 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine.

Molecular Properties

• Compound Name: 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
• PubChem CID: 160811020
• Molecular Formula: C239H180N8O3
• Molecular Weight: 3212.12 g/mol
• Exact Mass: 3209.42
• IUPAC Name: 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
• SMILES: CCc1ccc(N(c2ccc3c(-c4ccccc4)cccc3c2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(CC)cc4)c4ccc5c(-c6ccccc6)cccc5c4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.Cc1ccc(-c2cc(C)cnc2N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccc(C)cc4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.Cc1ccc(N(c2ccc(-c3ccccc3C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5C)cc4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C83H58N2O.C81H68N4O.C75H54N2O/c1-3-53-37-41-59(42-38-53)84(61-45-47-65-57(49-61)25-19-32-63(65)55-21-7-5-8-22-55)76-51-74-79(70-30-12-11-29-69(70)76)81-75(83(74)72-34-16-13-27-67(72)68-28-14-17-35-73(68)83)52-77(80-71-31-15-18-36-78(71)86-82(80)81)85(60-43-39-54(4-2)40-44-60)62-46-48-66-58(50-62)26-20-33-64(66)56-23-9-6-10-24-56;1-49-27-31-53(32-28-49)64-43-51(3)47-82-77(64)84(57-39-35-55(36-40-57)79(5,6)7)70-45-68-73(62-22-12-11-21-61(62)70)75-69(81(68)66-24-16-13-19-59(66)60-20-14-17-25-67(60)81)46-71(74-63-23-15-18-26-72(63)86-76(74)75)85(58-41-37-56(38-42-58)80(8,9)10)78-65(44-52(4)48-83-78)54-33-29-50(2)30-34-54;1-47-29-37-53(38-30-47)76(55-41-33-51(34-42-55)57-19-7-5-17-49(57)3)68-45-66-71(62-24-10-9-23-61(62)68)73-67(75(66)64-26-14-11-21-59(64)60-22-12-15-27-65(60)75)46-69(72-63-25-13-16-28-70(63)78-74(72)73)77(54-39-31-48(2)32-40-54)56-43-35-52(36-44-56)58-20-8-6-18-50(58)4/h5-52H,3-4H2,1-2H3;11-48H,1-10H3;5-46H,1-4H3
• InChIKey: SEHVQPVFZGFQJH-UHFFFAOYSA-N
• XLogP: 65.35
• TPSA: 84.64 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 26
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3212.12
LogP ≤ 5	65.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine?

The IUPAC name of 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine (CID 160811020) is 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine.

What is the SMILES notation for 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine?

The canonical SMILES for 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine is CCc1ccc(N(c2ccc3c(-c4ccccc4)cccc3c2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(CC)cc4)c4ccc5c(-c6ccccc6)cccc5c4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.Cc1ccc(-c2cc(C)cnc2N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccc(C)cc4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.Cc1ccc(N(c2ccc(-c3ccccc3C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5C)cc4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine?

The InChIKey is SEHVQPVFZGFQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H58N2O.C81H68N4O.C75H54N2O/c1-3-53-37-41-59(42-38-53)84(61-45-47-65-57(49-61)25-19-32-63(65)55-21-7-5-8-22-55)76-51-74-79(70-30-12-11-29-69(70)76)81-75(83(74)72-34-16-13-27-67(72)68-28-14-17-35-73(68)83)52-77(80-71-31-15-18-36-78(71)86-82(80)81)85(60-43-39-54(4-2)40-44-60)62-46-48-66-58(50-62)26-20-33-64(66)56-23-9-6-10-24-56;1-49-27-31-53(32-28-49)64-43-51(3)47-82-77(64)84(57-39-35-55(36-40-57)79(5,6)7)70-45-68-73(62-22-12-11-21-61(62)70)75-69(81(68)66-24-16-13-19-59(66)60-20-14-17-25-67(60)81)46-71(74-63-23-15-18-26-72(63)86-76(74)75)85(58-41-37-56(38-42-58)80(8,9)10)78-65(44-52(4)48-83-78)54-33-29-50(2)30-34-54;1-47-29-37-53(38-30-47)76(55-41-33-51(34-42-55)57-19-7-5-17-49(57)3)68-45-66-71(62-24-10-9-23-61(62)68)73-67(75(66)64-26-14-11-21-59(64)60-22-12-15-27-65(60)75)46-69(72-63-25-13-16-28-70(63)78-74(72)73)77(54-39-31-48(2)32-40-54)56-43-35-52(36-44-56)58-20-8-6-18-50(58)4/h5-52H,3-4H2,1-2H3;11-48H,1-10H3;5-46H,1-4H3.

What are the key properties of 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine?

9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine has a molecular weight of 3212.12 g/mol, XLogP of 65.35, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine is sourced from PubChem (CID 160811020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).