phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane

C48H37NSSi — CID 137330558

IUPACphenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc6c(c4)sc4cc([SiH2]c7ccccc7)ccc46)c3cc21)C(C)(C)c1ccccc1-5
InChIInChI=1S/C48H37NSSi/c1-47(2)39-16-10-8-14-31(39)35-24-37-38-25-36-32-15-9-11-17-40(32)48(3,4)42(36)27-44(38)49(43(37)26-41(35)47)28-18-20-33-34-21-19-30(23-46(34)50-45(33)22-28)51-29-12-6-5-7-13-29/h5-27H,51H2,1-4H3
InChIKeyBYAJZYAYAUCVJD-UHFFFAOYSA-N
MW687.98 g/mol
LogP10.88
Rot. Bonds3

About phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane

phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane (PubChem CID 137330558) has the molecular formula C48H37NSSi and a molecular weight of 687.98 g/mol. Its IUPAC name is phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane.

Molecular Properties

Compound Namephenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane
PubChem CID137330558
Molecular FormulaC48H37NSSi
Molecular Weight687.98 g/mol
Exact Mass687.24
IUPAC Namephenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc6c(c4)sc4cc([SiH2]c7ccccc7)ccc46)c3cc21)C(C)(C)c1ccccc1-5
InChIInChI=1S/C48H37NSSi/c1-47(2)39-16-10-8-14-31(39)35-24-37-38-25-36-32-15-9-11-17-40(32)48(3,4)42(36)27-44(38)49(43(37)26-41(35)47)28-18-20-33-34-21-19-30(23-46(34)50-45(33)22-28)51-29-12-6-5-7-13-29/h5-27H,51H2,1-4H3
InChIKeyBYAJZYAYAUCVJD-UHFFFAOYSA-N
XLogP10.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.98
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[6-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)naphthalen-2-yl]fluoren-2-amine;phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane;phenyl-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]silane
CID 159479934
5-(7-dibenzothiophen-3-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 170279174
15-[4-[4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]-19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 89492523
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223615
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
32-(4-dibenzothiophen-2-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 122527974
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 118335098
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227

Frequently Asked Questions

What is the IUPAC name of phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane?
The IUPAC name of phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane (CID 137330558) is phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane.
What is the SMILES notation for phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane?
The canonical SMILES for phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane is CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc6c(c4)sc4cc([SiH2]c7ccccc7)ccc46)c3cc21)C(C)(C)c1ccccc1-5.
What is the InChIKey of phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane?
The InChIKey is BYAJZYAYAUCVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NSSi/c1-47(2)39-16-10-8-14-31(39)35-24-37-38-25-36-32-15-9-11-17-40(32)48(3,4)42(36)27-44(38)49(43(37)26-41(35)47)28-18-20-33-34-21-19-30(23-46(34)50-45(33)22-28)51-29-12-6-5-7-13-29/h5-27H,51H2,1-4H3.
What are the key properties of phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane?
phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane has a molecular weight of 687.98 g/mol, XLogP of 10.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)dibenzothiophen-3-yl]silane is sourced from PubChem (CID 137330558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).