8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C45H30N4Si2 — CID 58389793

IUPAC8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc([Si]2(c3ccc4c(c3)-c3cc([Si]5(c6ccccc6)c6cccnc6-c6cccnc65)ccc3C4)c3cccnc3-c3cccnc32)cc1
InChIInChI=1S/C45H30N4Si2/c1-3-11-32(12-4-1)50(40-17-9-23-46-42(40)36-15-7-25-48-44(36)50)34-21-19-30-27-31-20-22-35(29-39(31)38(30)28-34)51(33-13-5-2-6-14-33)41-18-10-24-47-43(41)37-16-8-26-49-45(37)51/h1-26,28-29H,27H2
InChIKeyXVDUWJPIJGXWTO-UHFFFAOYSA-N
MW682.94 g/mol
LogP3.55
Rot. Bonds4

About 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58389793) has the molecular formula C45H30N4Si2 and a molecular weight of 682.94 g/mol. Its IUPAC name is 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58389793
Molecular FormulaC45H30N4Si2
Molecular Weight682.94 g/mol
Exact Mass682.20
IUPAC Name8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc([Si]2(c3ccc4c(c3)-c3cc([Si]5(c6ccccc6)c6cccnc6-c6cccnc65)ccc3C4)c3cccnc3-c3cccnc32)cc1
InChIInChI=1S/C45H30N4Si2/c1-3-11-32(12-4-1)50(40-17-9-23-46-42(40)36-15-7-25-48-44(36)50)34-21-19-30-27-31-20-22-35(29-39(31)38(30)28-34)51(33-13-5-2-6-14-33)41-18-10-24-47-43(41)37-16-8-26-49-45(37)51/h1-26,28-29H,27H2
InChIKeyXVDUWJPIJGXWTO-UHFFFAOYSA-N
XLogP3.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.94
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

8-phenyl-8-[6-(8-phenyl-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58389790
8-phenyl-8-[6-(8-phenyl-6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58389817
5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline
CID 58389809
spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]
CID 20810990
7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661586
7-methylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661403
5,5-diphenyl-8-[3-[3-(2-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine
CID 162274048
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene
CID 14812683
2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine
CID 151524668
8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
CID 162272328
5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one
CID 160581991

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58389793) is 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc([Si]2(c3ccc4c(c3)-c3cc([Si]5(c6ccccc6)c6cccnc6-c6cccnc65)ccc3C4)c3cccnc3-c3cccnc32)cc1.
What is the InChIKey of 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is XVDUWJPIJGXWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4Si2/c1-3-11-32(12-4-1)50(40-17-9-23-46-42(40)36-15-7-25-48-44(36)50)34-21-19-30-27-31-20-22-35(29-39(31)38(30)28-34)51(33-13-5-2-6-14-33)41-18-10-24-47-43(41)37-16-8-26-49-45(37)51/h1-26,28-29H,27H2.
What are the key properties of 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 682.94 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-8-[6-(8-phenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9H-fluoren-3-yl]-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58389793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).