9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine

C49H40N2O — CID 170656574

About 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine (PubChem CID 170656574) has the molecular formula C49H40N2O and a molecular weight of 672.87 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine
• PubChem CID: 170656574
• Molecular Formula: C49H40N2O
• Molecular Weight: 672.87 g/mol
• Exact Mass: 672.31
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine
• SMILES: Cc1cccc2c1N1c3ccccc3C(C)(C)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c(c31)O2
• InChI: InChI=1S/C49H40N2O/c1-31-14-13-21-44-45(31)51-43-20-12-11-19-40(43)49(4,5)41-29-28-36(47(52-44)46(41)51)32-22-24-34(25-23-32)50(33-15-7-6-8-16-33)35-26-27-38-37-17-9-10-18-39(37)48(2,3)42(38)30-35/h6-30H,1-5H3
• InChIKey: KMAACLQEQKMNMG-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.87
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine (CID 170656574) is 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine is Cc1cccc2c1N1c3ccccc3C(C)(C)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c(c31)O2.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine?

The InChIKey is KMAACLQEQKMNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N2O/c1-31-14-13-21-44-45(31)51-43-20-12-11-19-40(43)49(4,5)41-29-28-36(47(52-44)46(41)51)32-22-24-34(25-23-32)50(33-15-7-6-8-16-33)35-26-27-38-37-17-9-10-18-39(37)48(2,3)42(38)30-35/h6-30H,1-5H3.

What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine?

9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine has a molecular weight of 672.87 g/mol, XLogP of 13.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170656574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).