CID 59182321

C42H36Si2 — CID 59182321

IUPAC—
SMILESc1ccc(-c2ccc3c(c2)[Si]2(CCCC2)c2c4c(c5ccccc5c2-3)-c2ccc(-c3ccccc3)cc2[Si]42CCCC2)cc1
InChIInChI=1S/C42H36Si2/c1-3-13-29(14-4-1)31-19-21-35-37(27-31)43(23-9-10-24-43)41-39(35)33-17-7-8-18-34(33)40-36-22-20-32(30-15-5-2-6-16-30)28-38(36)44(42(40)41)25-11-12-26-44/h1-8,13-22,27-28H,9-12,23-26H2
InChIKeyWGAPSFAGAZDHGE-UHFFFAOYSA-N
MW596.92 g/mol
LogP8.85
Rot. Bonds2

About CID 59182321

CID 59182321 (PubChem CID 59182321) has the molecular formula C42H36Si2 and a molecular weight of 596.92 g/mol.

Molecular Properties

Compound NameCID 59182321
PubChem CID59182321
Molecular FormulaC42H36Si2
Molecular Weight596.92 g/mol
Exact Mass596.24
IUPAC Name—
SMILESc1ccc(-c2ccc3c(c2)[Si]2(CCCC2)c2c4c(c5ccccc5c2-3)-c2ccc(-c3ccccc3)cc2[Si]42CCCC2)cc1
InChIInChI=1S/C42H36Si2/c1-3-13-29(14-4-1)31-19-21-35-37(27-31)43(23-9-10-24-43)41-39(35)33-17-7-8-18-34(33)40-36-22-20-32(30-15-5-2-6-16-30)28-38(36)44(42(40)41)25-11-12-26-44/h1-8,13-22,27-28H,9-12,23-26H2
InChIKeyWGAPSFAGAZDHGE-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.92
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3',7,7'-tetrakis(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]
CID 20710018
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 59181890
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
CID 21043375
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
CID 132533616
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577

Frequently Asked Questions

What is the IUPAC name of CID 59182321?
The IUPAC name of CID 59182321 (CID 59182321) is not available.
What is the SMILES notation for CID 59182321?
The canonical SMILES for CID 59182321 is c1ccc(-c2ccc3c(c2)[Si]2(CCCC2)c2c4c(c5ccccc5c2-3)-c2ccc(-c3ccccc3)cc2[Si]42CCCC2)cc1.
What is the InChIKey of CID 59182321?
The InChIKey is WGAPSFAGAZDHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36Si2/c1-3-13-29(14-4-1)31-19-21-35-37(27-31)43(23-9-10-24-43)41-39(35)33-17-7-8-18-34(33)40-36-22-20-32(30-15-5-2-6-16-30)28-38(36)44(42(40)41)25-11-12-26-44/h1-8,13-22,27-28H,9-12,23-26H2.
What are the key properties of CID 59182321?
CID 59182321 has a molecular weight of 596.92 g/mol, XLogP of 8.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59182321 is sourced from PubChem (CID 59182321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).