5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine

C106H76N2 — CID 137493716

About 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine

5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine (PubChem CID 137493716) has the molecular formula C106H76N2 and a molecular weight of 1377.79 g/mol. Its IUPAC name is 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine.

Molecular Properties

• Compound Name: 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
• PubChem CID: 137493716
• Molecular Formula: C106H76N2
• Molecular Weight: 1377.79 g/mol
• Exact Mass: 1376.60
• IUPAC Name: 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
• SMILES: Cc1ccc(N(c2ccc(Cc3ccc4c5c(c6ccccc6c4c3)-c3cc4ccc(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cc4cc3C53c4ccccc4-c4ccccc43)cc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3ccccc23)cc1
• InChI: InChI=1S/C106H76N2/c1-64(2)69-39-49-77(50-40-69)108(78-51-41-70(42-52-78)65(3)4)80-54-44-72-61-94-100(63-74(72)59-80)106(97-32-18-14-25-86(97)87-26-15-19-33-98(87)106)104-91-55-38-68(57-92(91)83-22-7-10-28-89(83)102(94)104)56-67-36-47-76(48-37-67)107(75-45-34-66(5)35-46-75)79-53-43-71-60-93-99(62-73(71)58-79)105(95-30-16-12-23-84(95)85-24-13-17-31-96(85)105)103-90-29-11-8-21-82(90)81-20-6-9-27-88(81)101(93)103/h6-55,57-65H,56H2,1-5H3
• InChIKey: XWHFTVDYXSIAIJ-UHFFFAOYSA-N
• XLogP: 28.38
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1377.79
LogP ≤ 5	28.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?

The IUPAC name of 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine (CID 137493716) is 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine.

What is the SMILES notation for 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?

The canonical SMILES for 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine is Cc1ccc(N(c2ccc(Cc3ccc4c5c(c6ccccc6c4c3)-c3cc4ccc(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cc4cc3C53c4ccccc4-c4ccccc43)cc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3ccccc23)cc1.

What is the InChIKey of 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?

The InChIKey is XWHFTVDYXSIAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H76N2/c1-64(2)69-39-49-77(50-40-69)108(78-51-41-70(42-52-78)65(3)4)80-54-44-72-61-94-100(63-74(72)59-80)106(97-32-18-14-25-86(97)87-26-15-19-33-98(87)106)104-91-55-38-68(57-92(91)83-22-7-10-28-89(83)102(94)104)56-67-36-47-76(48-37-67)107(75-45-34-66(5)35-46-75)79-53-43-71-60-93-99(62-73(71)58-79)105(95-30-16-12-23-84(95)85-24-13-17-31-96(85)105)103-90-29-11-8-21-82(90)81-20-6-9-27-88(81)101(93)103/h6-55,57-65H,56H2,1-5H3.

What are the key properties of 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?

5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine has a molecular weight of 1377.79 g/mol, XLogP of 28.38, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-[[4-(4-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanilino)phenyl]methyl]-N,N-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine is sourced from PubChem (CID 137493716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).