diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane

C44H30N6Si — CID 67988375

IUPACdiphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane
SMILESc1ccc(-n2c3ncccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cnc5c(c4)c4cccnc4n5-c4ccccc4)cnc32)cc1
InChIInChI=1S/C44H30N6Si/c1-5-15-31(16-6-1)49-41-37(23-13-25-45-41)39-27-35(29-47-43(39)49)51(33-19-9-3-10-20-33,34-21-11-4-12-22-34)36-28-40-38-24-14-26-46-42(38)50(44(40)48-30-36)32-17-7-2-8-18-32/h1-30H
InChIKeyBJCWCXFKPLSWRB-UHFFFAOYSA-N
MW670.85 g/mol
LogP6.84
Rot. Bonds6

About diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane

diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane (PubChem CID 67988375) has the molecular formula C44H30N6Si and a molecular weight of 670.85 g/mol. Its IUPAC name is diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane.

Molecular Properties

Compound Namediphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane
PubChem CID67988375
Molecular FormulaC44H30N6Si
Molecular Weight670.85 g/mol
Exact Mass670.23
IUPAC Namediphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane
SMILESc1ccc(-n2c3ncccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cnc5c(c4)c4cccnc4n5-c4ccccc4)cnc32)cc1
InChIInChI=1S/C44H30N6Si/c1-5-15-31(16-6-1)49-41-37(23-13-25-45-41)39-27-35(29-47-43(39)49)51(33-19-9-3-10-20-33,34-21-11-4-12-22-34)36-28-40-38-24-14-26-46-42(38)50(44(40)48-30-36)32-17-7-2-8-18-32/h1-30H
InChIKeyBJCWCXFKPLSWRB-UHFFFAOYSA-N
XLogP6.84
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.85
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane with MolForge

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Related Compounds

diphenyl-(3-phenylphenyl)-(9-phenylpyrido[2,3-b]indol-6-yl)silane
CID 158596767
[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane
CID 158724090
9-phenylpyrido[2,3-b]indole
CID 15939260
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane
CID 140842382
diphenyl-(4-phenylphenyl)-(5-phenylpyrido[3,2-b]indol-8-yl)silane
CID 159265035
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane
CID 140952139
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 129221567

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane?
The IUPAC name of diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane (CID 67988375) is diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane.
What is the SMILES notation for diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane?
The canonical SMILES for diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane is c1ccc(-n2c3ncccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cnc5c(c4)c4cccnc4n5-c4ccccc4)cnc32)cc1.
What is the InChIKey of diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane?
The InChIKey is BJCWCXFKPLSWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N6Si/c1-5-15-31(16-6-1)49-41-37(23-13-25-45-41)39-27-35(29-47-43(39)49)51(33-19-9-3-10-20-33,34-21-11-4-12-22-34)36-28-40-38-24-14-26-46-42(38)50(44(40)48-30-36)32-17-7-2-8-18-32/h1-30H.
What are the key properties of diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane?
diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane has a molecular weight of 670.85 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(8-phenyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)silane is sourced from PubChem (CID 67988375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).