7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine

C104H83N7 — CID 88555757

About 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine

7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine (PubChem CID 88555757) has the molecular formula C104H83N7 and a molecular weight of 1430.86 g/mol. Its IUPAC name is 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine.

Molecular Properties

• Compound Name: 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
• PubChem CID: 88555757
• Molecular Formula: C104H83N7
• Molecular Weight: 1430.86 g/mol
• Exact Mass: 1429.67
• IUPAC Name: 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc5c(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccn7)cc6c(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccccn6)c5cc3-4)c3ccccn3)cc21
• InChI: InChI=1S/C104H83N7/c1-100(2)85-34-18-14-30-71(85)75-47-41-66(57-89(75)100)108(95-38-22-25-53-105-95)65-46-52-80-82(56-65)99(111(97-40-24-27-55-107-97)70-45-50-78-74-33-17-21-37-88(74)103(7,8)92(78)61-70)83-62-81-79-51-43-68(109(96-39-23-26-54-106-96)67-42-48-76-72-31-15-19-35-86(72)101(3,4)90(76)58-67)59-93(79)104(9,10)94(81)63-84(83)98(80)110(64-28-12-11-13-29-64)69-44-49-77-73-32-16-20-36-87(73)102(5,6)91(77)60-69/h11-63H,1-10H3
• InChIKey: NADCVWSHOVHVQZ-UHFFFAOYSA-N
• XLogP: 27.59
• TPSA: 51.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1430.86
LogP ≤ 5	27.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

The IUPAC name of 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine (CID 88555757) is 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine.

What is the SMILES notation for 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

The canonical SMILES for 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc5c(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccn7)cc6c(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccccn6)c5cc3-4)c3ccccn3)cc21.

What is the InChIKey of 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

The InChIKey is NADCVWSHOVHVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H83N7/c1-100(2)85-34-18-14-30-71(85)75-47-41-66(57-89(75)100)108(95-38-22-25-53-105-95)65-46-52-80-82(56-65)99(111(97-40-24-27-55-107-97)70-45-50-78-74-33-17-21-37-88(74)103(7,8)92(78)61-70)83-62-81-79-51-43-68(109(96-39-23-26-54-106-96)67-42-48-76-72-31-15-19-35-86(72)101(3,4)90(76)58-67)59-93(79)104(9,10)94(81)63-84(83)98(80)110(64-28-12-11-13-29-64)69-44-49-77-73-32-16-20-36-87(73)102(5,6)91(77)60-69/h11-63H,1-10H3.

What are the key properties of 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine has a molecular weight of 1430.86 g/mol, XLogP of 27.59, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine is sourced from PubChem (CID 88555757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).