N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine

C127H101FN4O2Si2 — CID 157172777

About N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine

N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine (PubChem CID 157172777) has the molecular formula C127H101FN4O2Si2 and a molecular weight of 1790.40 g/mol. Its IUPAC name is N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine.

Molecular Properties

• Compound Name: N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
• PubChem CID: 157172777
• Molecular Formula: C127H101FN4O2Si2
• Molecular Weight: 1790.40 g/mol
• Exact Mass: 1788.74
• IUPAC Name: N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3c5ccc(-c6ccc(N(c7ccccc7)c7ccc([Si](C)(C)C)cc7)cc6)cc5c5ccccc5c43)cc21.C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3c3c5ccc(N(c6ccccc6)c6c(F)cc(C7C=CC=CC7)cc6-c6ccccc6)cc5oc43)cc2)cc1
• InChI: InChI=1S/C65H51FN2OSi.C62H50N2OSi/c1-70(2,3)54-36-33-52(34-37-54)67(49-22-12-6-13-23-49)51-31-28-45(29-32-51)47-30-38-57-60(40-47)55-26-16-17-27-56(55)63-58-39-35-53(43-62(58)69-65(57)63)68(50-24-14-7-15-25-50)64-59(46-20-10-5-11-21-46)41-48(42-61(64)66)44-18-8-4-9-19-44;1-62(2)57-23-15-14-21-51(57)52-36-31-47(39-58(52)62)64(44-18-10-7-11-19-44)48-32-37-55-59(40-48)65-61-54-35-26-42(38-56(54)50-20-12-13-22-53(50)60(55)61)41-24-27-45(28-25-41)63(43-16-8-6-9-17-43)46-29-33-49(34-30-46)66(3,4)5/h4-18,20-44H,19H2,1-3H3;6-40H,1-5H3
• InChIKey: ANQXJGHPHSCWJE-UHFFFAOYSA-N
• XLogP: 35.80
• TPSA: 39.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1790.40
LogP ≤ 5	35.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?

The IUPAC name of N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine (CID 157172777) is N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine.

What is the SMILES notation for N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?

The canonical SMILES for N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3c5ccc(-c6ccc(N(c7ccccc7)c7ccc([Si](C)(C)C)cc7)cc6)cc5c5ccccc5c43)cc21.C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3c3c5ccc(N(c6ccccc6)c6c(F)cc(C7C=CC=CC7)cc6-c6ccccc6)cc5oc43)cc2)cc1.

What is the InChIKey of N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?

The InChIKey is ANQXJGHPHSCWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H51FN2OSi.C62H50N2OSi/c1-70(2,3)54-36-33-52(34-37-54)67(49-22-12-6-13-23-49)51-31-28-45(29-32-51)47-30-38-57-60(40-47)55-26-16-17-27-56(55)63-58-39-35-53(43-62(58)69-65(57)63)68(50-24-14-7-15-25-50)64-59(46-20-10-5-11-21-46)41-48(42-61(64)66)44-18-8-4-9-19-44;1-62(2)57-23-15-14-21-51(57)52-36-31-47(39-58(52)62)64(44-18-10-7-11-19-44)48-32-37-55-59(40-48)65-61-54-35-26-42(38-56(54)50-20-12-13-22-53(50)60(55)61)41-24-27-45(28-25-41)63(43-16-8-6-9-17-43)46-29-33-49(34-30-46)66(3,4)5/h4-18,20-44H,19H2,1-3H3;6-40H,1-5H3.

What are the key properties of N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?

N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine has a molecular weight of 1790.40 g/mol, XLogP of 35.80, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine is sourced from PubChem (CID 157172777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).