bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane

C54H38N2Si — CID 123470179

IUPACbis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane
SMILESCc1ccc([Si](c2ccc(C)cc2)(c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc2)c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc2)cc1
InChIInChI=1S/C54H38N2Si/c1-35-15-27-43(28-16-35)57(44-29-17-36(2)18-30-44,45-31-23-41(24-32-45)55-47-11-3-7-37-19-20-38-8-4-12-48(55)52(38)51(37)47)46-33-25-42(26-34-46)56-49-13-5-9-39-21-22-40-10-6-14-50(56)54(40)53(39)49/h3-34H,1-2H3
InChIKeyAWYIFUJPHUTMDE-UHFFFAOYSA-N
MW743.00 g/mol
LogP11.06
Rot. Bonds6

About bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane

bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane (PubChem CID 123470179) has the molecular formula C54H38N2Si and a molecular weight of 743.00 g/mol. Its IUPAC name is bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane.

Molecular Properties

Compound Namebis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane
PubChem CID123470179
Molecular FormulaC54H38N2Si
Molecular Weight743.00 g/mol
Exact Mass742.28
IUPAC Namebis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane
SMILESCc1ccc([Si](c2ccc(C)cc2)(c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc2)c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc2)cc1
InChIInChI=1S/C54H38N2Si/c1-35-15-27-43(28-16-35)57(44-29-17-36(2)18-30-44,45-31-23-41(24-32-45)55-47-11-3-7-37-19-20-38-8-4-12-48(55)52(38)51(37)47)46-33-25-42(26-34-46)56-49-13-5-9-39-21-22-40-10-6-14-50(56)54(40)53(39)49/h3-34H,1-2H3
InChIKeyAWYIFUJPHUTMDE-UHFFFAOYSA-N
XLogP11.06
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.00
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane
CID 123447866
3-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 90397301
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
[4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588375
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane
CID 59770814
N-[4-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90128481
15-phenyl-N-(9-phenylcarbazol-3-yl)-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123941303
N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
CID 59720567
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078
15-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123980669
15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123555139

Frequently Asked Questions

What is the IUPAC name of bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane?
The IUPAC name of bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane (CID 123470179) is bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane.
What is the SMILES notation for bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane?
The canonical SMILES for bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane is Cc1ccc([Si](c2ccc(C)cc2)(c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc2)c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc2)cc1.
What is the InChIKey of bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane?
The InChIKey is AWYIFUJPHUTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-35-15-27-43(28-16-35)57(44-29-17-36(2)18-30-44,45-31-23-41(24-32-45)55-47-11-3-7-37-19-20-38-8-4-12-48(55)52(38)51(37)47)46-33-25-42(26-34-46)56-49-13-5-9-39-21-22-40-10-6-14-50(56)54(40)53(39)49/h3-34H,1-2H3.
What are the key properties of bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane?
bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane has a molecular weight of 743.00 g/mol, XLogP of 11.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-bis(4-methylphenyl)silane is sourced from PubChem (CID 123470179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).