7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

C67H45FN2 — CID 58050163

About 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 58050163) has the molecular formula C67H45FN2 and a molecular weight of 897.11 g/mol. Its IUPAC name is 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 58050163
• Molecular Formula: C67H45FN2
• Molecular Weight: 897.11 g/mol
• Exact Mass: 896.36
• IUPAC Name: 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c3c5ccc6cccc7ccc(cc3n4-c3ccc(F)cc3)c5c76)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C67H45FN2/c1-67(2)60-39-49(48-24-37-62-59(38-48)66-58-35-22-47-15-9-14-46-16-17-50(65(58)64(46)47)40-63(66)70(62)54-31-25-51(68)26-32-54)23-34-56(60)57-36-33-55(41-61(57)67)69(52-27-18-44(19-28-52)42-10-5-3-6-11-42)53-29-20-45(21-30-53)43-12-7-4-8-13-43/h3-41H,1-2H3
• InChIKey: BHSVUMYZESVLGI-UHFFFAOYSA-N
• XLogP: 18.60
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.11
LogP ≤ 5	18.60
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 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 58050163) is 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)c3c5ccc6cccc7ccc(cc3n4-c3ccc(F)cc3)c5c76)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.

What is the InChIKey of 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The InChIKey is BHSVUMYZESVLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45FN2/c1-67(2)60-39-49(48-24-37-62-59(38-48)66-58-35-22-47-15-9-14-46-16-17-50(65(58)64(46)47)40-63(66)70(62)54-31-25-51(68)26-32-54)23-34-56(60)57-36-33-55(41-61(57)67)69(52-27-18-44(19-28-52)42-10-5-3-6-11-42)53-29-20-45(21-30-53)43-12-7-4-8-13-43/h3-41H,1-2H3.

What are the key properties of 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?

7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 897.11 g/mol, XLogP of 18.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 58050163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).