12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine

C164H128N6O3 — CID 158172755

About 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine

12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine (PubChem CID 158172755) has the molecular formula C164H128N6O3 and a molecular weight of 2230.87 g/mol. Its IUPAC name is 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine.

Molecular Properties

• Compound Name: 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
• PubChem CID: 158172755
• Molecular Formula: C164H128N6O3
• Molecular Weight: 2230.87 g/mol
• Exact Mass: 2229.00
• IUPAC Name: 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
• SMILES: Cc1cnc2c(c1)-c1ccccc1C21c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(C(C)(C)C)cc3)c3c(oc4ccccc43)c2-c2c1cc(N(c1ccc(-c3ccc4ccccc4c3)cc1)c1ccc(C(C)(C)C)cc1)c1c2oc2ccccc21.Cc1cnc2c(c1)-c1ccccc1C21c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(C(C)(C)C)cc1)c1c2oc2ccccc21
• InChI: InChI=1S/C89H67N3O2.C75H61N3O/c1-54-48-72-69-22-12-15-25-73(69)89(86(72)90-53-54)74-51-76(91(67-44-36-63(37-45-67)87(2,3)4)65-40-32-57(33-41-65)61-30-28-55-18-8-10-20-59(55)49-61)80-70-23-13-16-26-78(70)93-84(80)82(74)83-75(89)52-77(81-71-24-14-17-27-79(71)94-85(81)83)92(68-46-38-64(39-47-68)88(5,6)7)66-42-34-58(35-43-66)62-31-29-56-19-9-11-21-60(56)50-62;1-48-44-63-60-22-14-16-24-64(60)75(72(63)76-47-48)65-45-59(77(56-38-30-53(31-39-56)73(2,3)4)55-34-26-51(27-35-55)49-18-10-8-11-19-49)42-43-61(65)69-66(75)46-67(70-62-23-15-17-25-68(62)79-71(69)70)78(58-40-32-54(33-41-58)74(5,6)7)57-36-28-52(29-37-57)50-20-12-9-13-21-50/h8-53H,1-7H3;8-47H,1-7H3
• InChIKey: FXQPGGLQZQNMIF-UHFFFAOYSA-N
• XLogP: 45.21
• TPSA: 78.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2230.87
LogP ≤ 5	45.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine?

The IUPAC name of 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine (CID 158172755) is 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine.

What is the SMILES notation for 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine?

The canonical SMILES for 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine is Cc1cnc2c(c1)-c1ccccc1C21c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(C(C)(C)C)cc3)c3c(oc4ccccc43)c2-c2c1cc(N(c1ccc(-c3ccc4ccccc4c3)cc1)c1ccc(C(C)(C)C)cc1)c1c2oc2ccccc21.Cc1cnc2c(c1)-c1ccccc1C21c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(C(C)(C)C)cc1)c1c2oc2ccccc21.

What is the InChIKey of 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine?

The InChIKey is FXQPGGLQZQNMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H67N3O2.C75H61N3O/c1-54-48-72-69-22-12-15-25-73(69)89(86(72)90-53-54)74-51-76(91(67-44-36-63(37-45-67)87(2,3)4)65-40-32-57(33-41-65)61-30-28-55-18-8-10-20-59(55)49-61)80-70-23-13-16-26-78(70)93-84(80)82(74)83-75(89)52-77(81-71-24-14-17-27-79(71)94-85(81)83)92(68-46-38-64(39-47-68)88(5,6)7)66-42-34-58(35-43-66)62-31-29-56-19-9-11-21-60(56)50-62;1-48-44-63-60-22-14-16-24-64(60)75(72(63)76-47-48)65-45-59(77(56-38-30-53(31-39-56)73(2,3)4)55-34-26-51(27-35-55)49-18-10-8-11-19-49)42-43-61(65)69-66(75)46-67(70-62-23-15-17-25-68(62)79-71(69)70)78(58-40-32-54(33-41-58)74(5,6)7)57-36-28-52(29-37-57)50-20-12-9-13-21-50/h8-53H,1-7H3;8-47H,1-7H3.

What are the key properties of 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine?

12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine has a molecular weight of 2230.87 g/mol, XLogP of 45.21, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine is sourced from PubChem (CID 158172755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).