N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C47H44N2 — CID 70893135

About N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 70893135) has the molecular formula C47H44N2 and a molecular weight of 636.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 70893135
• Molecular Formula: C47H44N2
• Molecular Weight: 636.88 g/mol
• Exact Mass: 636.35
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: Cc1cc(C)cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cccc4c2N3c2ccccc2C4(C)C)c1
• InChI: InChI=1S/C47H44N2/c1-29-24-30(2)26-33(25-29)48(31-20-22-35-34-14-9-10-15-36(34)45(3,4)40(35)27-31)32-21-23-43-41(28-32)47(7,8)39-18-13-17-38-44(39)49(43)42-19-12-11-16-37(42)46(38,5)6/h9-28H,1-8H3
• InChIKey: WTWOGTRWQFGBNA-UHFFFAOYSA-N
• XLogP: 12.83
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.88
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 70893135) is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is Cc1cc(C)cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cccc4c2N3c2ccccc2C4(C)C)c1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is WTWOGTRWQFGBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44N2/c1-29-24-30(2)26-33(25-29)48(31-20-22-35-34-14-9-10-15-36(34)45(3,4)40(35)27-31)32-21-23-43-41(28-32)47(7,8)39-18-13-17-38-44(39)49(43)42-19-12-11-16-37(42)46(38,5)6/h9-28H,1-8H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 636.88 g/mol, XLogP of 12.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 70893135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).