N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine

C65H44N2O — CID 129123918

About N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine (PubChem CID 129123918) has the molecular formula C65H44N2O and a molecular weight of 869.08 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
• PubChem CID: 129123918
• Molecular Formula: C65H44N2O
• Molecular Weight: 869.08 g/mol
• Exact Mass: 868.35
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
• InChI: InChI=1S/C65H44N2O/c1-64(2)55-25-13-9-21-47(55)49-35-33-45(39-57(49)64)67(46-34-36-50-48-22-10-14-26-56(48)65(58(50)40-46,42-17-5-3-6-18-42)43-19-7-4-8-20-43)44-31-29-41(30-32-44)62-54-38-37-52-51-23-12-16-28-60(51)68-63(52)61(54)53-24-11-15-27-59(53)66-62/h3-40H,1-2H3
• InChIKey: VTJAMTYZIBQTIG-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 29.27 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.08
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine (CID 129123918) is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?

The InChIKey is VTJAMTYZIBQTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2O/c1-64(2)55-25-13-9-21-47(55)49-35-33-45(39-57(49)64)67(46-34-36-50-48-22-10-14-26-56(48)65(58(50)40-46,42-17-5-3-6-18-42)43-19-7-4-8-20-43)44-31-29-41(30-32-44)62-54-38-37-52-51-23-12-16-28-60(51)68-63(52)61(54)53-24-11-15-27-59(53)66-62/h3-40H,1-2H3.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine has a molecular weight of 869.08 g/mol, XLogP of 17.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 129123918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).