CID 174017578

C43H28BN2Si — CID 174017578

IUPAC—
SMILESCc1cc(-c2cccc3c2[nH]c2ccccc23)c2c(c1)N1c3ccccc3[Si]3(c4ccccc4-c4ccccc43)c3cccc(c31)[B]2
InChIInChI=1S/C43H28BN2Si/c1-26-24-32(31-16-10-15-30-27-12-2-5-18-34(27)45-42(30)31)41-36(25-26)46-35-19-6-9-22-39(35)47(40-23-11-17-33(44-41)43(40)46)37-20-7-3-13-28(37)29-14-4-8-21-38(29)47/h2-25,45H,1H3
InChIKeyPADYNJFUVVICAY-UHFFFAOYSA-N
MW611.61 g/mol
LogP6.41
Rot. Bonds1

About CID 174017578

CID 174017578 (PubChem CID 174017578) has the molecular formula C43H28BN2Si and a molecular weight of 611.61 g/mol.

Molecular Properties

Compound NameCID 174017578
PubChem CID174017578
Molecular FormulaC43H28BN2Si
Molecular Weight611.61 g/mol
Exact Mass611.21
IUPAC Name—
SMILESCc1cc(-c2cccc3c2[nH]c2ccccc23)c2c(c1)N1c3ccccc3[Si]3(c4ccccc4-c4ccccc43)c3cccc(c31)[B]2
InChIInChI=1S/C43H28BN2Si/c1-26-24-32(31-16-10-15-30-27-12-2-5-18-34(27)45-42(30)31)41-36(25-26)46-35-19-6-9-22-39(35)47(40-23-11-17-33(44-41)43(40)46)37-20-7-3-13-28(37)29-14-4-8-21-38(29)47/h2-25,45H,1H3
InChIKeyPADYNJFUVVICAY-UHFFFAOYSA-N
XLogP6.41
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.61
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 174017549
CID 174017549
CID 174017489
CID 174017489
CID 174018477
CID 174018477
CID 174017519
CID 174017519
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
[2-(9H-carbazol-1-yl)phenyl]boronic acid
CID 66887079
CID 174017833
CID 174017833
CID 174014848
CID 174014848
2-(9H-carbazol-1-yl)isoindole-1,3-dione
CID 175293328
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
CID 174016369
CID 174016369
CID 174017629
CID 174017629

Frequently Asked Questions

What is the IUPAC name of CID 174017578?
The IUPAC name of CID 174017578 (CID 174017578) is not available.
What is the SMILES notation for CID 174017578?
The canonical SMILES for CID 174017578 is Cc1cc(-c2cccc3c2[nH]c2ccccc23)c2c(c1)N1c3ccccc3[Si]3(c4ccccc4-c4ccccc43)c3cccc(c31)[B]2.
What is the InChIKey of CID 174017578?
The InChIKey is PADYNJFUVVICAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28BN2Si/c1-26-24-32(31-16-10-15-30-27-12-2-5-18-34(27)45-42(30)31)41-36(25-26)46-35-19-6-9-22-39(35)47(40-23-11-17-33(44-41)43(40)46)37-20-7-3-13-28(37)29-14-4-8-21-38(29)47/h2-25,45H,1H3.
What are the key properties of CID 174017578?
CID 174017578 has a molecular weight of 611.61 g/mol, XLogP of 6.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174017578 is sourced from PubChem (CID 174017578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).