7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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

C107H86N4 — CID 88555720

About 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 88555720) has the molecular formula C107H86N4 and a molecular weight of 1427.89 g/mol. Its IUPAC name is 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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: 88555720
• Molecular Formula: C107H86N4
• Molecular Weight: 1427.89 g/mol
• Exact Mass: 1426.69
• IUPAC Name: 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc5c(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc(N(c7ccccc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6c(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5cc3-4)cc21
• InChI: InChI=1S/C107H86N4/c1-103(2)91-43-27-23-39-77(91)81-53-47-72(60-95(81)103)108(67-31-15-11-16-32-67)71-52-58-86-88(59-71)102(111(70-37-21-14-22-38-70)76-51-56-84-80-42-26-30-46-94(80)106(7,8)98(84)64-76)89-65-87-85-57-49-74(109(68-33-17-12-18-34-68)73-48-54-82-78-40-24-28-44-92(78)104(3,4)96(82)61-73)62-99(85)107(9,10)100(87)66-90(89)101(86)110(69-35-19-13-20-36-69)75-50-55-83-79-41-25-29-45-93(79)105(5,6)97(83)63-75/h11-66H,1-10H3
• InChIKey: RJCHWNJZGOPBPS-UHFFFAOYSA-N
• XLogP: 29.40
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1427.89
LogP ≤ 5	29.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 88555720) is 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc5c(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc(N(c7ccccc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6c(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5cc3-4)cc21.

What is the InChIKey of 7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 RJCHWNJZGOPBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H86N4/c1-103(2)91-43-27-23-39-77(91)81-53-47-72(60-95(81)103)108(67-31-15-11-16-32-67)71-52-58-86-88(59-71)102(111(70-37-21-14-22-38-70)76-51-56-84-80-42-26-30-46-94(80)106(7,8)98(84)64-76)89-65-87-85-57-49-74(109(68-33-17-12-18-34-68)73-48-54-82-78-40-24-28-44-92(78)104(3,4)96(82)61-73)62-99(85)107(9,10)100(87)66-90(89)101(86)110(69-35-19-13-20-36-69)75-50-55-83-79-41-25-29-45-93(79)105(5,6)97(83)63-75/h11-66H,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-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 1427.89 g/mol, XLogP of 29.40, 12 rotatable bonds, 0 hydrogen bond donors, and 4 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-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 88555720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).