CID 159372425

C43H28N5O2Si — CID 159372425

IUPAC—
SMILESC1=CC2c3ccc4oc(-n5c6ccccc6c6ccc(-c7cccc8ocnc78)nc65)nc4c3N([Si](c3ccccc3)c3ccccc3)C2C=C1
InChIInChI=1S/C43H28N5O2Si/c1-3-12-27(13-4-1)51(28-14-5-2-6-15-28)48-36-20-10-8-16-29(36)31-23-25-38-40(41(31)48)46-43(50-38)47-35-19-9-7-17-30(35)32-22-24-34(45-42(32)47)33-18-11-21-37-39(33)44-26-49-37/h1-26,29,36H
InChIKeyXNZINXZXYJWGER-UHFFFAOYSA-N
MW674.82 g/mol
LogP8.33
Rot. Bonds5

About CID 159372425

CID 159372425 (PubChem CID 159372425) has the molecular formula C43H28N5O2Si and a molecular weight of 674.82 g/mol.

Molecular Properties

Compound NameCID 159372425
PubChem CID159372425
Molecular FormulaC43H28N5O2Si
Molecular Weight674.82 g/mol
Exact Mass674.20
IUPAC Name—
SMILESC1=CC2c3ccc4oc(-n5c6ccccc6c6ccc(-c7cccc8ocnc78)nc65)nc4c3N([Si](c3ccccc3)c3ccccc3)C2C=C1
InChIInChI=1S/C43H28N5O2Si/c1-3-12-27(13-4-1)51(28-14-5-2-6-15-28)48-36-20-10-8-16-29(36)31-23-25-38-40(41(31)48)46-43(50-38)47-35-19-9-7-17-30(35)32-22-24-34(45-42(32)47)33-18-11-21-37-39(33)44-26-49-37/h1-26,29,36H
InChIKeyXNZINXZXYJWGER-UHFFFAOYSA-N
XLogP8.33
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.82
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 158231929
CID 158231929
4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole
CID 164779902
9-[2-(4a,9a-dihydrocarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 163606188
2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 165007567
11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170392649
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
CID 176750363
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 139479529
8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 170153049
2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole
CID 129221438
2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole
CID 176750374
1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 171591687
9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 170113354

Frequently Asked Questions

What is the IUPAC name of CID 159372425?
The IUPAC name of CID 159372425 (CID 159372425) is not available.
What is the SMILES notation for CID 159372425?
The canonical SMILES for CID 159372425 is C1=CC2c3ccc4oc(-n5c6ccccc6c6ccc(-c7cccc8ocnc78)nc65)nc4c3N([Si](c3ccccc3)c3ccccc3)C2C=C1.
What is the InChIKey of CID 159372425?
The InChIKey is XNZINXZXYJWGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N5O2Si/c1-3-12-27(13-4-1)51(28-14-5-2-6-15-28)48-36-20-10-8-16-29(36)31-23-25-38-40(41(31)48)46-43(50-38)47-35-19-9-7-17-30(35)32-22-24-34(45-42(32)47)33-18-11-21-37-39(33)44-26-49-37/h1-26,29,36H.
What are the key properties of CID 159372425?
CID 159372425 has a molecular weight of 674.82 g/mol, XLogP of 8.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159372425 is sourced from PubChem (CID 159372425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).