CID 165025337

C36H22BO — CID 165025337

IUPAC—
SMILES[B].c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C36H22O.B/c1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33;/h1-22H;
InChIKeyFOFMZMNRIICZRW-UHFFFAOYSA-N
MW481.38 g/mol
LogP10.00
Rot. Bonds2

About CID 165025337

CID 165025337 (PubChem CID 165025337) has the molecular formula C36H22BO and a molecular weight of 481.38 g/mol.

Molecular Properties

Compound NameCID 165025337
PubChem CID165025337
Molecular FormulaC36H22BO
Molecular Weight481.38 g/mol
Exact Mass481.18
IUPAC Name—
SMILES[B].c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C36H22O.B/c1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33;/h1-22H;
InChIKeyFOFMZMNRIICZRW-UHFFFAOYSA-N
XLogP10.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-4,6-diphenylpyrimidine
CID 118503439
2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 161091180
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
19-(10-phenylanthracen-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 146460952
2-[4-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 146652076
7-(10-dibenzofuran-2-ylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene
CID 130190316

Frequently Asked Questions

What is the IUPAC name of CID 165025337?
The IUPAC name of CID 165025337 (CID 165025337) is not available.
What is the SMILES notation for CID 165025337?
The canonical SMILES for CID 165025337 is [B].c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1.
What is the InChIKey of CID 165025337?
The InChIKey is FOFMZMNRIICZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22O.B/c1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33;/h1-22H;.
What are the key properties of CID 165025337?
CID 165025337 has a molecular weight of 481.38 g/mol, XLogP of 10.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165025337 is sourced from PubChem (CID 165025337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).