CID 174076879

C24H10B5NO — CID 174076879

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2ccc3[nH]c4c(ccc5oc6ccccc6c54)c3c2)c([B])c1[B]
InChIInChI=1S/C24H10B5NO/c25-19-17(20(26)22(28)23(29)21(19)27)10-5-7-14-13(9-10)11-6-8-16-18(24(11)30-14)12-3-1-2-4-15(12)31-16/h1-9,30H
InChIKeyCKVMNMMTCOHINH-UHFFFAOYSA-N
MW382.41 g/mol
LogP0.86
Rot. Bonds1

About CID 174076879

CID 174076879 (PubChem CID 174076879) has the molecular formula C24H10B5NO and a molecular weight of 382.41 g/mol.

Molecular Properties

Compound NameCID 174076879
PubChem CID174076879
Molecular FormulaC24H10B5NO
Molecular Weight382.41 g/mol
Exact Mass383.12
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2ccc3[nH]c4c(ccc5oc6ccccc6c54)c3c2)c([B])c1[B]
InChIInChI=1S/C24H10B5NO/c25-19-17(20(26)22(28)23(29)21(19)27)10-5-7-14-13(9-10)11-6-8-16-18(24(11)30-14)12-3-1-2-4-15(12)31-16/h1-9,30H
InChIKeyCKVMNMMTCOHINH-UHFFFAOYSA-N
XLogP0.86
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 50.86
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

9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole
CID 142742550
CID 177209579
CID 177209579
12H-[1]benzofuro[3,2-a]carbazole;ethane
CID 167453025
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
7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene
CID 118545773
5-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159714513
CID 175620126
CID 175620126
CID 168994111
CID 168994111
2-(2-phenyl-9H-carbazol-1-yl)-1H-[1]benzofuro[2,3-g]indole
CID 166134224
23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene
CID 132526373
15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
CID 118248383
5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
CID 145268683

Frequently Asked Questions

What is the IUPAC name of CID 174076879?
The IUPAC name of CID 174076879 (CID 174076879) is not available.
What is the SMILES notation for CID 174076879?
The canonical SMILES for CID 174076879 is [B]c1c([B])c([B])c(-c2ccc3[nH]c4c(ccc5oc6ccccc6c54)c3c2)c([B])c1[B].
What is the InChIKey of CID 174076879?
The InChIKey is CKVMNMMTCOHINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10B5NO/c25-19-17(20(26)22(28)23(29)21(19)27)10-5-7-14-13(9-10)11-6-8-16-18(24(11)30-14)12-3-1-2-4-15(12)31-16/h1-9,30H.
What are the key properties of CID 174076879?
CID 174076879 has a molecular weight of 382.41 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174076879 is sourced from PubChem (CID 174076879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).