CID 170675719

C24H17BNO3 — CID 170675719

IUPAC—
SMILESO[B]Oc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C24H17BNO3/c27-25-29-20-13-10-18(11-14-20)26(17-6-2-1-3-7-17)19-12-15-22-21-8-4-5-9-23(21)28-24(22)16-19/h1-16,27H
InChIKeyDZVHKKOVEQUPBX-UHFFFAOYSA-N
MW378.22 g/mol
LogP5.96
Rot. Bonds5

About CID 170675719

CID 170675719 (PubChem CID 170675719) has the molecular formula C24H17BNO3 and a molecular weight of 378.22 g/mol.

Molecular Properties

Compound NameCID 170675719
PubChem CID170675719
Molecular FormulaC24H17BNO3
Molecular Weight378.22 g/mol
Exact Mass378.13
IUPAC Name—
SMILESO[B]Oc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C24H17BNO3/c27-25-29-20-13-10-18(11-14-20)26(17-6-2-1-3-7-17)19-12-15-22-21-8-4-5-9-23(21)28-24(22)16-19/h1-16,27H
InChIKeyDZVHKKOVEQUPBX-UHFFFAOYSA-N
XLogP5.96
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.22
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
CID 134471596
4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134471591
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
CID 126629752
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine
CID 59103427
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028

Frequently Asked Questions

What is the IUPAC name of CID 170675719?
The IUPAC name of CID 170675719 (CID 170675719) is not available.
What is the SMILES notation for CID 170675719?
The canonical SMILES for CID 170675719 is O[B]Oc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of CID 170675719?
The InChIKey is DZVHKKOVEQUPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BNO3/c27-25-29-20-13-10-18(11-14-20)26(17-6-2-1-3-7-17)19-12-15-22-21-8-4-5-9-23(21)28-24(22)16-19/h1-16,27H.
What are the key properties of CID 170675719?
CID 170675719 has a molecular weight of 378.22 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170675719 is sourced from PubChem (CID 170675719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).