CID 177209579

C30H15B4NO — CID 177209579

IUPAC—
SMILES[B]c1c([B])c(-c2ccc3oc4ccccc4c3c2)c([B])c([B])c1-c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C30H15B4NO/c31-27-25(15-9-11-22-19(13-15)17-5-1-3-7-21(17)35-22)28(32)30(34)26(29(27)33)16-10-12-24-20(14-16)18-6-2-4-8-23(18)36-24/h1-14,35H
InChIKeyXOYQXCNCNCZMPK-UHFFFAOYSA-N
MW448.70 g/mol
LogP3.73
Rot. Bonds2

About CID 177209579

CID 177209579 (PubChem CID 177209579) has the molecular formula C30H15B4NO and a molecular weight of 448.70 g/mol.

Molecular Properties

Compound NameCID 177209579
PubChem CID177209579
Molecular FormulaC30H15B4NO
Molecular Weight448.70 g/mol
Exact Mass449.15
IUPAC Name—
SMILES[B]c1c([B])c(-c2ccc3oc4ccccc4c3c2)c([B])c([B])c1-c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C30H15B4NO/c31-27-25(15-9-11-22-19(13-15)17-5-1-3-7-21(17)35-22)28(32)30(34)26(29(27)33)16-10-12-24-20(14-16)18-6-2-4-8-23(18)36-24/h1-14,35H
InChIKeyXOYQXCNCNCZMPK-UHFFFAOYSA-N
XLogP3.73
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.70
LogP ≤ 53.73
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

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2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
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CID 90291993
CID 90291993
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
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2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
CID 168994111
CID 168994111
19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920
18-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 126621732
6-(10-bromoanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654333
3-dibenzofuran-4-yl-6-(4-phenylphenyl)-9H-carbazole
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Frequently Asked Questions

What is the IUPAC name of CID 177209579?
The IUPAC name of CID 177209579 (CID 177209579) is not available.
What is the SMILES notation for CID 177209579?
The canonical SMILES for CID 177209579 is [B]c1c([B])c(-c2ccc3oc4ccccc4c3c2)c([B])c([B])c1-c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of CID 177209579?
The InChIKey is XOYQXCNCNCZMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15B4NO/c31-27-25(15-9-11-22-19(13-15)17-5-1-3-7-21(17)35-22)28(32)30(34)26(29(27)33)16-10-12-24-20(14-16)18-6-2-4-8-23(18)36-24/h1-14,35H.
What are the key properties of CID 177209579?
CID 177209579 has a molecular weight of 448.70 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177209579 is sourced from PubChem (CID 177209579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).