N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine

C60H43NO — CID 171433314

About N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine (PubChem CID 171433314) has the molecular formula C60H43NO and a molecular weight of 794.01 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine.

Molecular Properties

• Compound Name: N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
• PubChem CID: 171433314
• Molecular Formula: C60H43NO
• Molecular Weight: 794.01 g/mol
• Exact Mass: 793.33
• IUPAC Name: N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(oc5c6ccccc6c6ccccc6c45)c3-c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C60H43NO/c1-59(2)50-23-13-11-19-43(50)45-29-27-39(34-52(45)59)61(40-28-30-46-44-20-12-14-24-51(44)60(3,4)53(46)35-40)54-32-31-49-56-47-21-9-7-17-41(47)42-18-8-10-22-48(42)57(56)62-58(49)55(54)38-26-25-36-15-5-6-16-37(36)33-38/h5-35H,1-4H3
• InChIKey: MIXBKZMCCGETPS-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.01
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?

The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine (CID 171433314) is N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine.

What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?

The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(oc5c6ccccc6c6ccccc6c45)c3-c3ccc4ccccc4c3)cc21.

What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?

The InChIKey is MIXBKZMCCGETPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NO/c1-59(2)50-23-13-11-19-43(50)45-29-27-39(34-52(45)59)61(40-28-30-46-44-20-12-14-24-51(44)60(3,4)53(46)35-40)54-32-31-49-56-47-21-9-7-17-41(47)42-18-8-10-22-48(42)57(56)62-58(49)55(54)38-26-25-36-15-5-6-16-37(36)33-38/h5-35H,1-4H3.

What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?

N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine has a molecular weight of 794.01 g/mol, XLogP of 16.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine is sourced from PubChem (CID 171433314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).