N-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-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

C45H39FN2 — CID 70886118

About N-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-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-(4-fluorophenyl)-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 70886118) has the molecular formula C45H39FN2 and a molecular weight of 626.82 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-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-(4-fluorophenyl)-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: 70886118
• Molecular Formula: C45H39FN2
• Molecular Weight: 626.82 g/mol
• Exact Mass: 626.31
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-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: CC1(C)c2ccccc2-c2ccc(N(c3ccc(F)cc3)c3ccc4c(c3)C(C)(C)c3cccc5c3N4c3ccccc3C5(C)C)cc21
• InChI: InChI=1S/C45H39FN2/c1-43(2)34-13-8-7-12-32(34)33-24-22-30(26-38(33)43)47(29-20-18-28(46)19-21-29)31-23-25-41-39(27-31)45(5,6)37-16-11-15-36-42(37)48(41)40-17-10-9-14-35(40)44(36,3)4/h7-27H,1-6H3
• InChIKey: MRVOWHROIZGFBX-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.82
LogP ≤ 5	12.35
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-(4-fluorophenyl)-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-(4-fluorophenyl)-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 70886118) is N-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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 CC1(C)c2ccccc2-c2ccc(N(c3ccc(F)cc3)c3ccc4c(c3)C(C)(C)c3cccc5c3N4c3ccccc3C5(C)C)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-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 MRVOWHROIZGFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39FN2/c1-43(2)34-13-8-7-12-32(34)33-24-22-30(26-38(33)43)47(29-20-18-28(46)19-21-29)31-23-25-41-39(27-31)45(5,6)37-16-11-15-36-42(37)48(41)40-17-10-9-14-35(40)44(36,3)4/h7-27H,1-6H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-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-(4-fluorophenyl)-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 626.82 g/mol, XLogP of 12.35, 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-(4-fluorophenyl)-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 70886118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).