23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine

C80H64N2 — CID 88951419

About 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine

23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine (PubChem CID 88951419) has the molecular formula C80H64N2 and a molecular weight of 1053.41 g/mol. Its IUPAC name is 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine.

Molecular Properties

• Compound Name: 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine
• PubChem CID: 88951419
• Molecular Formula: C80H64N2
• Molecular Weight: 1053.41 g/mol
• Exact Mass: 1052.51
• IUPAC Name: 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(cc34)C(C)(C)c3cc4c6ccccc6c6ccccc6c4cc3C5(C)C)cc21
• InChI: InChI=1S/C80H64N2/c1-77(2)67-37-23-21-33-57(67)59-41-39-51(43-69(59)77)81(49-25-11-9-12-26-49)75-61-35-19-20-36-62(61)76(82(50-27-13-10-14-28-50)52-40-42-60-58-34-22-24-38-68(58)78(3,4)70(60)44-52)66-48-74-73(47-65(66)75)79(5,6)71-45-63-55-31-17-15-29-53(55)54-30-16-18-32-56(54)64(63)46-72(71)80(74,7)8/h9-48H,1-8H3
• InChIKey: OAQIYBUHHQHJTO-UHFFFAOYSA-N
• XLogP: 21.97
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1053.41
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine?

The IUPAC name of 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine (CID 88951419) is 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine.

What is the SMILES notation for 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine?

The canonical SMILES for 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(cc34)C(C)(C)c3cc4c6ccccc6c6ccccc6c4cc3C5(C)C)cc21.

What is the InChIKey of 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine?

The InChIKey is OAQIYBUHHQHJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H64N2/c1-77(2)67-37-23-21-33-57(67)59-41-39-51(43-69(59)77)81(49-25-11-9-12-26-49)75-61-35-19-20-36-62(61)76(82(50-27-13-10-14-28-50)52-40-42-60-58-34-22-24-38-68(58)78(3,4)70(60)44-52)66-48-74-73(47-65(66)75)79(5,6)71-45-63-55-31-17-15-29-53(55)54-30-16-18-32-56(54)64(63)46-72(71)80(74,7)8/h9-48H,1-8H3.

What are the key properties of 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine?

23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine has a molecular weight of 1053.41 g/mol, XLogP of 21.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine is sourced from PubChem (CID 88951419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).