[8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane

C62H50FN3O2Si+2 — CID 176817479

About [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane

[8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane (PubChem CID 176817479) has the molecular formula C62H50FN3O2Si+2 and a molecular weight of 916.18 g/mol. Its IUPAC name is [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
• PubChem CID: 176817479
• Molecular Formula: C62H50FN3O2Si+2
• Molecular Weight: 916.18 g/mol
• Exact Mass: 915.36
• IUPAC Name: [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c2[n+](c3ccc4ccccc4c31)C1(c3cc(F)ccc3-c3ccc([Si](C)(C)C)c[n+]31)c1ccc3c(oc4cc5c(cc43)oc3ccccc35)c1-2
• InChI: InChI=1S/C62H50FN3O2Si/c1-35(2)46-29-39(37-15-9-8-10-16-37)30-47(36(3)4)58(46)65-59-42-18-12-11-17-38(42)21-27-53(59)66-61(65)57-50(62(66)51-31-40(63)22-24-45(51)52-28-23-41(34-64(52)62)69(5,6)7)26-25-44-49-33-55-48(32-56(49)68-60(44)57)43-19-13-14-20-54(43)67-55/h8-36H,1-7H3/q+2
• InChIKey: JFXVYNSWGWKPKN-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 38.97 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.18
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

The IUPAC name of [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane (CID 176817479) is [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane.

What is the SMILES notation for [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

The canonical SMILES for [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c2[n+](c3ccc4ccccc4c31)C1(c3cc(F)ccc3-c3ccc([Si](C)(C)C)c[n+]31)c1ccc3c(oc4cc5c(cc43)oc3ccccc35)c1-2.

What is the InChIKey of [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

The InChIKey is JFXVYNSWGWKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50FN3O2Si/c1-35(2)46-29-39(37-15-9-8-10-16-37)30-47(36(3)4)58(46)65-59-42-18-12-11-17-38(42)21-27-53(59)66-61(65)57-50(62(66)51-31-40(63)22-24-45(51)52-28-23-41(34-64(52)62)69(5,6)7)26-25-44-49-33-55-48(32-56(49)68-60(44)57)43-19-13-14-20-54(43)67-55/h8-36H,1-7H3/q+2.

What are the key properties of [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

[8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane has a molecular weight of 916.18 g/mol, XLogP of 15.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [8'-fluoro-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[24,34-dioxa-4-aza-15-azonianonacyclo[18.14.0.02,17.03,15.05,14.06,11.021,33.023,31.025,30]tetratriaconta-1(20),2(17),3(15),5(14),6,8,10,12,18,21(33),22,25,27,29,31-pentadecaene-16,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane is sourced from PubChem (CID 176817479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).