15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

C52H34N2Si — CID 123366124

IUPAC15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
SMILESC[Si]1(C)c2cc(-c3ccc4cc(-n5c6cccc7ccc8cccc5c8c76)ccc4c3)ccc2-c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc21
InChIInChI=1S/C52H34N2Si/c1-55(2)47-29-38(22-25-41(47)42-26-24-40(30-48(42)55)54-45-13-5-9-33-17-18-34-10-6-14-46(54)52(34)51(33)45)35-19-20-37-28-39(23-21-36(37)27-35)53-43-11-3-7-31-15-16-32-8-4-12-44(53)50(32)49(31)43/h3-30H,1-2H3
InChIKeyWJLKJJAQUUXKKO-UHFFFAOYSA-N
MW714.94 g/mol
LogP12.69
Rot. Bonds3

About 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene (PubChem CID 123366124) has the molecular formula C52H34N2Si and a molecular weight of 714.94 g/mol. Its IUPAC name is 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene.

Molecular Properties

Compound Name15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
PubChem CID123366124
Molecular FormulaC52H34N2Si
Molecular Weight714.94 g/mol
Exact Mass714.25
IUPAC Name15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
SMILESC[Si]1(C)c2cc(-c3ccc4cc(-n5c6cccc7ccc8cccc5c8c76)ccc4c3)ccc2-c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc21
InChIInChI=1S/C52H34N2Si/c1-55(2)47-29-38(22-25-41(47)42-26-24-40(30-48(42)55)54-45-13-5-9-33-17-18-34-10-6-14-46(54)52(34)51(33)45)35-19-20-37-28-39(23-21-36(37)27-35)53-43-11-3-7-31-15-16-32-8-4-12-44(53)50(32)49(31)43/h3-30H,1-2H3
InChIKeyWJLKJJAQUUXKKO-UHFFFAOYSA-N
XLogP12.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.94
LogP ≤ 512.69
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'}

Analyze 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene with MolForge

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Related Compounds

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15-[3-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 118203972
3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
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CID 156626520
4-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 126683170
N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
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3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 90397305
4,9,14-trinaphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
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7-naphthalen-2-yl-2-(7-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
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9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
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9-(6-phenylnaphthalen-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138747293

Frequently Asked Questions

What is the IUPAC name of 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
The IUPAC name of 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene (CID 123366124) is 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene.
What is the SMILES notation for 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
The canonical SMILES for 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene is C[Si]1(C)c2cc(-c3ccc4cc(-n5c6cccc7ccc8cccc5c8c76)ccc4c3)ccc2-c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc21.
What is the InChIKey of 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
The InChIKey is WJLKJJAQUUXKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2Si/c1-55(2)47-29-38(22-25-41(47)42-26-24-40(30-48(42)55)54-45-13-5-9-33-17-18-34-10-6-14-46(54)52(34)51(33)45)35-19-20-37-28-39(23-21-36(37)27-35)53-43-11-3-7-31-15-16-32-8-4-12-44(53)50(32)49(31)43/h3-30H,1-2H3.
What are the key properties of 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene has a molecular weight of 714.94 g/mol, XLogP of 12.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[6-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-5,5-dimethylbenzo[b][1]benzosilol-7-yl]naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene is sourced from PubChem (CID 123366124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).