CID 154595373

C42H22N2O4Si2 — CID 154595373

IUPAC—
SMILESc1ccc(N2c3cccc4c3[Si]3c5c(cccc52)Oc2c5c6c(c(c23)O4)Oc2cccc3c2[Si]6c2c(cccc2N3c2ccccc2)O5)cc1
InChIInChI=1S/C42H22N2O4Si2/c1-3-11-23(12-4-1)43-25-15-7-19-29-37(25)49-38-26(43)16-8-20-30(38)46-34-36-42-35(33(45-29)41(34)49)47-31-21-9-17-27-39(31)50(42)40-28(18-10-22-32(40)48-36)44(27)24-13-5-2-6-14-24/h1-22H
InChIKeyJSSFYNZTLYFDEE-UHFFFAOYSA-N
MW674.82 g/mol
LogP6.71
Rot. Bonds2

About CID 154595373

CID 154595373 (PubChem CID 154595373) has the molecular formula C42H22N2O4Si2 and a molecular weight of 674.82 g/mol.

Molecular Properties

Compound NameCID 154595373
PubChem CID154595373
Molecular FormulaC42H22N2O4Si2
Molecular Weight674.82 g/mol
Exact Mass674.11
IUPAC Name—
SMILESc1ccc(N2c3cccc4c3[Si]3c5c(cccc52)Oc2c5c6c(c(c23)O4)Oc2cccc3c2[Si]6c2c(cccc2N3c2ccccc2)O5)cc1
InChIInChI=1S/C42H22N2O4Si2/c1-3-11-23(12-4-1)43-25-15-7-19-29-37(25)49-38-26(43)16-8-20-30(38)46-34-36-42-35(33(45-29)41(34)49)47-31-21-9-17-27-39(31)50(42)40-28(18-10-22-32(40)48-36)44(27)24-13-5-2-6-14-24/h1-22H
InChIKeyJSSFYNZTLYFDEE-UHFFFAOYSA-N
XLogP6.71
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.82
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;10-phenylphenoxazine
CID 123756019
22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 134317568
14,22-diphenyl-8-oxa-14,22-diaza-1-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140849245
22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 118049683
2-bromo-4-chloro-10-phenylphenoxazine
CID 177083951
1,1-dimethyl-22-phenyl-8,14-dioxa-22-aza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140848985
1,1-difluoro-22-phenyl-8,14-dioxa-22-aza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140848779
1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140848716
34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide
CID 134317725
22,30-diphenyl-11,16-dioxa-22,30-diaza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene
CID 166568329
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
10-phenylphenoxazine-4,6-dicarboxylic acid
CID 101021790

Frequently Asked Questions

What is the IUPAC name of CID 154595373?
The IUPAC name of CID 154595373 (CID 154595373) is not available.
What is the SMILES notation for CID 154595373?
The canonical SMILES for CID 154595373 is c1ccc(N2c3cccc4c3[Si]3c5c(cccc52)Oc2c5c6c(c(c23)O4)Oc2cccc3c2[Si]6c2c(cccc2N3c2ccccc2)O5)cc1.
What is the InChIKey of CID 154595373?
The InChIKey is JSSFYNZTLYFDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H22N2O4Si2/c1-3-11-23(12-4-1)43-25-15-7-19-29-37(25)49-38-26(43)16-8-20-30(38)46-34-36-42-35(33(45-29)41(34)49)47-31-21-9-17-27-39(31)50(42)40-28(18-10-22-32(40)48-36)44(27)24-13-5-2-6-14-24/h1-22H.
What are the key properties of CID 154595373?
CID 154595373 has a molecular weight of 674.82 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154595373 is sourced from PubChem (CID 154595373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).