CID 136753240

C72H58N4Si4 — CID 136753240

IUPAC—
SMILESC[Si](c1ccccc1)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc([Si](C)c4ccccc4)cc3)=c3/cc/c([nH]3)=C(\c3ccc([Si](C)c4ccccc4)cc3)C3=N/C(=C(/c4ccc([Si](C)c5ccccc5)cc4)C4=NC2=CC4)C=C3)cc1
InChIInChI=1S/C72H58N4Si4/c1-77(53-17-9-5-10-18-53)57-33-25-49(26-34-57)69-61-41-43-63(73-61)70(50-27-35-58(36-28-50)78(2)54-19-11-6-12-20-54)65-45-47-67(75-65)72(52-31-39-60(40-32-52)80(4)56-23-15-8-16-24-56)68-48-46-66(76-68)71(64-44-42-62(69)74-64)51-29-37-59(38-30-51)79(3)55-21-13-7-14-22-55/h5-47,73H,48H2,1-4H3/b69-61-,70-63-,71-64-,72-67-
InChIKeyZZAVYPMEVHRKNH-YVWKKYMWSA-N
MW1091.63 g/mol
LogP8.95
Rot. Bonds12

About CID 136753240

CID 136753240 (PubChem CID 136753240) has the molecular formula C72H58N4Si4 and a molecular weight of 1091.63 g/mol.

Molecular Properties

Compound NameCID 136753240
PubChem CID136753240
Molecular FormulaC72H58N4Si4
Molecular Weight1091.63 g/mol
Exact Mass1090.37
IUPAC Name—
SMILESC[Si](c1ccccc1)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc([Si](C)c4ccccc4)cc3)=c3/cc/c([nH]3)=C(\c3ccc([Si](C)c4ccccc4)cc3)C3=N/C(=C(/c4ccc([Si](C)c5ccccc5)cc4)C4=NC2=CC4)C=C3)cc1
InChIInChI=1S/C72H58N4Si4/c1-77(53-17-9-5-10-18-53)57-33-25-49(26-34-57)69-61-41-43-63(73-61)70(50-27-35-58(36-28-50)78(2)54-19-11-6-12-20-54)65-45-47-67(75-65)72(52-31-39-60(40-32-52)80(4)56-23-15-8-16-24-56)68-48-46-66(76-68)71(64-44-42-62(69)74-64)51-29-37-59(38-30-51)79(3)55-21-13-7-14-22-55/h5-47,73H,48H2,1-4H3/b69-61-,70-63-,71-64-,72-67-
InChIKeyZZAVYPMEVHRKNH-YVWKKYMWSA-N
XLogP8.95
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.63
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,7,12,17-tetrakis(4-chlorophenyl)-27,28,29-triazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene
CID 135424566
methyl 4-[(5Z,10Z,14Z,19Z)-10,15,20-triphenyl-1,2,3,4,21,23-hexahydroporphyrin-5-yl]benzoate
CID 76844763
7,12-bis(4-tert-butylphenyl)-19,21-dimethoxy-20-methyl-2,17-diphenyl-23,24,25-triazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),2,4,6(25),7,9,11,13(23),14,16,18,20-dodecaene
CID 135627658
(7Z,12Z,16Z)-12,17-bis(4-methylphenyl)-7-phenyl-4,21-dioxa-22,23-diazapentacyclo[16.2.1.18,11.113,16.02,6]tricosa-1(20),2,5,7,9,11(23),12,14,16,18-decaene
CID 177447919
7,12-bis(4-chlorophenyl)-19,21-dimethoxy-2,17-diphenyl-23,24,25-triazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),2,4,6(25),7,9,11,13(23),14,16,18,20-dodecaene
CID 135627657
2,7,12,22,27,32-hexakis(2,3,4,5,6-pentafluorophenyl)-17,37-diphenyl-41,42,43,44,45,46,47,48-octazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetraconta-1,3,5,7,9,11(47),12,14,16,18(45),19,21,23,25,27,29,31(43),32,34,36,38(41),39-docosaene
CID 139256846
2,7,12,17-tetrakis(4-methylphenyl)-24-[[2-[[2,7,12,17-tetrakis(4-methylphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-24-yl]methyl]phenyl]methyl]-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
CID 102274438
5,10,15-tripyridin-2-yl-21H-corrin
CID 67104657
(2Z,6Z,11Z,17E)-21-ethyl-2,7,12,17-tetraphenyl-23,24,25-triazapentacyclo[16.2.2.13,6.18,11.113,16]pentacosa-1(21),2,4,6,8(24),9,11,13,15,17,19-undecaene;molecular hydrogen
CID 142967395
2,7,12,17-tetrakis(4-methylphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-24-ol
CID 135472049
4-[10-(4-aminophenyl)-15,20-diphenylporphyrin-5-yl]aniline
CID 174830823
[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]methanamine
CID 68871391

Frequently Asked Questions

What is the IUPAC name of CID 136753240?
The IUPAC name of CID 136753240 (CID 136753240) is not available.
What is the SMILES notation for CID 136753240?
The canonical SMILES for CID 136753240 is C[Si](c1ccccc1)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc([Si](C)c4ccccc4)cc3)=c3/cc/c([nH]3)=C(\c3ccc([Si](C)c4ccccc4)cc3)C3=N/C(=C(/c4ccc([Si](C)c5ccccc5)cc4)C4=NC2=CC4)C=C3)cc1.
What is the InChIKey of CID 136753240?
The InChIKey is ZZAVYPMEVHRKNH-YVWKKYMWSA-N. The full InChI is InChI=1S/C72H58N4Si4/c1-77(53-17-9-5-10-18-53)57-33-25-49(26-34-57)69-61-41-43-63(73-61)70(50-27-35-58(36-28-50)78(2)54-19-11-6-12-20-54)65-45-47-67(75-65)72(52-31-39-60(40-32-52)80(4)56-23-15-8-16-24-56)68-48-46-66(76-68)71(64-44-42-62(69)74-64)51-29-37-59(38-30-51)79(3)55-21-13-7-14-22-55/h5-47,73H,48H2,1-4H3/b69-61-,70-63-,71-64-,72-67-.
What are the key properties of CID 136753240?
CID 136753240 has a molecular weight of 1091.63 g/mol, XLogP of 8.95, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136753240 is sourced from PubChem (CID 136753240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).