CID 140963936

C29H20BO — CID 140963936

IUPAC—
SMILESO[B]c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1
InChIInChI=1S/C29H20BO/c31-30-23-17-15-22(16-18-23)29(21-9-2-1-3-10-21)26-13-7-6-12-25(26)28-24-11-5-4-8-20(24)14-19-27(28)29/h1-19,31H
InChIKeyXGYTYLHXWWCDQE-UHFFFAOYSA-N
MW395.29 g/mol
LogP5.44
Rot. Bonds3

About CID 140963936

CID 140963936 (PubChem CID 140963936) has the molecular formula C29H20BO and a molecular weight of 395.29 g/mol.

Molecular Properties

Compound NameCID 140963936
PubChem CID140963936
Molecular FormulaC29H20BO
Molecular Weight395.29 g/mol
Exact Mass395.16
IUPAC Name—
SMILESO[B]c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1
InChIInChI=1S/C29H20BO/c31-30-23-17-15-22(16-18-23)29(21-9-2-1-3-10-21)26-13-7-6-12-25(26)28-24-11-5-4-8-20(24)14-19-27(28)29/h1-19,31H
InChIKeyXGYTYLHXWWCDQE-UHFFFAOYSA-N
XLogP5.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 55.44
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 142592951
CID 142592951
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
7,7-diphenylbenzo[g]fluoren-9-amine
CID 134361009
12-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170021853
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465814
2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465666
9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034390
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155465894
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene
CID 145414972

Frequently Asked Questions

What is the IUPAC name of CID 140963936?
The IUPAC name of CID 140963936 (CID 140963936) is not available.
What is the SMILES notation for CID 140963936?
The canonical SMILES for CID 140963936 is O[B]c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1.
What is the InChIKey of CID 140963936?
The InChIKey is XGYTYLHXWWCDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20BO/c31-30-23-17-15-22(16-18-23)29(21-9-2-1-3-10-21)26-13-7-6-12-25(26)28-24-11-5-4-8-20(24)14-19-27(28)29/h1-19,31H.
What are the key properties of CID 140963936?
CID 140963936 has a molecular weight of 395.29 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140963936 is sourced from PubChem (CID 140963936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).