N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine

C52H40N2O — CID 170656492

About N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine

N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine (PubChem CID 170656492) has the molecular formula C52H40N2O and a molecular weight of 708.91 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
• PubChem CID: 170656492
• Molecular Formula: C52H40N2O
• Molecular Weight: 708.91 g/mol
• Exact Mass: 708.31
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)N3c5ccccc5Oc5c(-c6ccccc6)ccc(c53)C4(C)C)c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C52H40N2O/c1-51(2)42-19-11-10-18-40(42)41-26-24-37(31-45(41)51)53(36-23-22-33-14-8-9-17-35(33)30-36)38-25-28-43-47(32-38)54-46-20-12-13-21-48(46)55-50-39(34-15-6-5-7-16-34)27-29-44(49(50)54)52(43,3)4/h5-32H,1-4H3
• InChIKey: QFSKKWTWAKPMDG-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.91
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine (CID 170656492) is N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)N3c5ccccc5Oc5c(-c6ccccc6)ccc(c53)C4(C)C)c3ccc4ccccc4c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine?

The InChIKey is QFSKKWTWAKPMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2O/c1-51(2)42-19-11-10-18-40(42)41-26-24-37(31-45(41)51)53(36-23-22-33-14-8-9-17-35(33)30-36)38-25-28-43-47(32-38)54-46-20-12-13-21-48(46)55-50-39(34-15-6-5-7-16-34)27-29-44(49(50)54)52(43,3)4/h5-32H,1-4H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine?

N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine has a molecular weight of 708.91 g/mol, XLogP of 14.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine is sourced from PubChem (CID 170656492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).