12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine

C89H70N2O2 — CID 156556268

About 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine

12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine (PubChem CID 156556268) has the molecular formula C89H70N2O2 and a molecular weight of 1199.55 g/mol. Its IUPAC name is 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine.

Molecular Properties

• Compound Name: 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine
• PubChem CID: 156556268
• Molecular Formula: C89H70N2O2
• Molecular Weight: 1199.55 g/mol
• Exact Mass: 1198.54
• IUPAC Name: 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine
• SMILES: Cc1ccc(-c2cc(N(c3ccc(C(C)C)cc3)c3cc4c(c5oc6ccccc6c35)-c3c(cc(N(c5ccc(C(C)C)cc5)c5ccc(C)c(-c6ccc(C)cc6)c5-c5ccccc5)c5c3oc3ccccc35)C43c4ccccc4-c4ccccc43)ccc2C)cc1
• InChI: InChI=1S/C89H70N2O2/c1-53(2)59-40-45-64(46-41-59)90(66-44-34-57(7)71(50-66)61-36-30-55(5)31-37-61)77-51-74-85(87-83(77)69-24-14-18-28-79(69)92-87)86-75(89(74)72-26-16-12-22-67(72)68-23-13-17-27-73(68)89)52-78(84-70-25-15-19-29-80(70)93-88(84)86)91(65-47-42-60(43-48-65)54(3)4)76-49-35-58(8)81(63-38-32-56(6)33-39-63)82(76)62-20-10-9-11-21-62/h9-54H,1-8H3
• InChIKey: FJWOIEBWVOJKHA-UHFFFAOYSA-N
• XLogP: 25.25
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1199.55
LogP ≤ 5	25.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine?

The IUPAC name of 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine (CID 156556268) is 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine.

What is the SMILES notation for 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine?

The canonical SMILES for 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine is Cc1ccc(-c2cc(N(c3ccc(C(C)C)cc3)c3cc4c(c5oc6ccccc6c35)-c3c(cc(N(c5ccc(C(C)C)cc5)c5ccc(C)c(-c6ccc(C)cc6)c5-c5ccccc5)c5c3oc3ccccc35)C43c4ccccc4-c4ccccc43)ccc2C)cc1.

What is the InChIKey of 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine?

The InChIKey is FJWOIEBWVOJKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H70N2O2/c1-53(2)59-40-45-64(46-41-59)90(66-44-34-57(7)71(50-66)61-36-30-55(5)31-37-61)77-51-74-85(87-83(77)69-24-14-18-28-79(69)92-87)86-75(89(74)72-26-16-12-22-67(72)68-23-13-17-27-73(68)89)52-78(84-70-25-15-19-29-80(70)93-88(84)86)91(65-47-42-60(43-48-65)54(3)4)76-49-35-58(8)81(63-38-32-56(6)33-39-63)82(76)62-20-10-9-11-21-62/h9-54H,1-8H3.

What are the key properties of 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine?

12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine has a molecular weight of 1199.55 g/mol, XLogP of 25.25, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-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'-fluorene]-12,18-diamine is sourced from PubChem (CID 156556268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).