9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C63H43NO — CID 171433488

About 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 171433488) has the molecular formula C63H43NO and a molecular weight of 830.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 171433488
• Molecular Formula: C63H43NO
• Molecular Weight: 830.04 g/mol
• Exact Mass: 829.33
• IUPAC Name: 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5cccc6ccccc56)ccc5oc6c7ccccc7c7ccccc7c6c45)cc3)cc21
• InChI: InChI=1S/C63H43NO/c1-63(2)56-26-13-12-22-51(56)52-36-35-46(39-57(52)63)64(44-31-27-41(28-32-44)40-15-4-3-5-16-40)45-33-29-43(30-34-45)59-54(48-25-14-18-42-17-6-7-19-47(42)48)37-38-58-61(59)60-53-23-10-8-20-49(53)50-21-9-11-24-55(50)62(60)65-58/h3-39H,1-2H3
• InChIKey: RFVCAPFJHRUYJN-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.04
LogP ≤ 5	17.82
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 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 171433488) is 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5cccc6ccccc56)ccc5oc6c7ccccc7c7ccccc7c6c45)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is RFVCAPFJHRUYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO/c1-63(2)56-26-13-12-22-51(56)52-36-35-46(39-57(52)63)64(44-31-27-41(28-32-44)40-15-4-3-5-16-40)45-33-29-43(30-34-45)59-54(48-25-14-18-42-17-6-7-19-47(42)48)37-38-58-61(59)60-53-23-10-8-20-49(53)50-21-9-11-24-55(50)62(60)65-58/h3-39H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 830.04 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(17-naphthalen-1-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171433488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).