CID 88889233

C25H14BNO — CID 88889233

IUPAC—
SMILES[B]c1cc2c3ccccc3c(=O)n3c4ccccc4c(c1-c1ccccc1)c23
InChIInChI=1S/C25H14BNO/c26-20-14-19-16-10-4-5-11-17(16)25(28)27-21-13-7-6-12-18(21)23(24(19)27)22(20)15-8-2-1-3-9-15/h1-14H
InChIKeySYXMAOFEFJLKSS-UHFFFAOYSA-N
MW355.21 g/mol
LogP4.66
Rot. Bonds1

About CID 88889233

CID 88889233 (PubChem CID 88889233) has the molecular formula C25H14BNO and a molecular weight of 355.21 g/mol.

Molecular Properties

Compound NameCID 88889233
PubChem CID88889233
Molecular FormulaC25H14BNO
Molecular Weight355.21 g/mol
Exact Mass355.12
IUPAC Name—
SMILES[B]c1cc2c3ccccc3c(=O)n3c4ccccc4c(c1-c1ccccc1)c23
InChIInChI=1S/C25H14BNO/c26-20-14-19-16-10-4-5-11-17(16)25(28)27-21-13-7-6-12-18(21)23(24(19)27)22(20)15-8-2-1-3-9-15/h1-14H
InChIKeySYXMAOFEFJLKSS-UHFFFAOYSA-N
XLogP4.66
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
CID 157298032
10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
CID 146620445
10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
CID 142451987
17-azaheptacyclo[15.10.1.02,7.09,28.010,15.018,27.020,25]octacosa-1(28),2,4,6,8,10,12,14,18,20,22,24,26-tridecaen-16-one
CID 137401452
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 163783995
9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]
CID 58249869
5,10-bis(3-carbazol-9-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154593080
5-(3,5-diphenylphenyl)-10-(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 139524665
25-phenyl-3,10,17-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,19,21,23-undecaen-18-one
CID 165126070
(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl) trifluoromethanesulfonate
CID 147570351
3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(45),2,4(24),6,8,10,12,15,17,19,21,23(46),25,28,30,32,34,37,39,41,43-henicosaene
CID 146512323
11-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390314

Frequently Asked Questions

What is the IUPAC name of CID 88889233?
The IUPAC name of CID 88889233 (CID 88889233) is not available.
What is the SMILES notation for CID 88889233?
The canonical SMILES for CID 88889233 is [B]c1cc2c3ccccc3c(=O)n3c4ccccc4c(c1-c1ccccc1)c23.
What is the InChIKey of CID 88889233?
The InChIKey is SYXMAOFEFJLKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BNO/c26-20-14-19-16-10-4-5-11-17(16)25(28)27-21-13-7-6-12-18(21)23(24(19)27)22(20)15-8-2-1-3-9-15/h1-14H.
What are the key properties of CID 88889233?
CID 88889233 has a molecular weight of 355.21 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88889233 is sourced from PubChem (CID 88889233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).