CID 174154038

C36H19B5N2 — CID 174154038

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)c([B])c1[B]
InChIInChI=1S/C36H19B5N2/c37-29-28(30(38)32(40)33(41)31(29)39)25-14-8-13-20(19-9-2-1-3-10-19)35(25)43-27-16-7-5-12-22(27)24-18-17-23-21-11-4-6-15-26(21)42-34(23)36(24)43/h1-18,42H
InChIKeyXZLCCIRRTCJABM-UHFFFAOYSA-N
MW533.62 g/mol
LogP3.72
Rot. Bonds3

About CID 174154038

CID 174154038 (PubChem CID 174154038) has the molecular formula C36H19B5N2 and a molecular weight of 533.62 g/mol.

Molecular Properties

Compound NameCID 174154038
PubChem CID174154038
Molecular FormulaC36H19B5N2
Molecular Weight533.62 g/mol
Exact Mass534.20
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)c([B])c1[B]
InChIInChI=1S/C36H19B5N2/c37-29-28(30(38)32(40)33(41)31(29)39)25-14-8-13-20(19-9-2-1-3-10-19)35(25)43-27-16-7-5-12-22(27)24-18-17-23-21-11-4-6-15-26(21)42-34(23)36(24)43/h1-18,42H
InChIKeyXZLCCIRRTCJABM-UHFFFAOYSA-N
XLogP3.72
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.62
LogP ≤ 53.72
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

12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole
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12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165529
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile
CID 122433826
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039
12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 123785802
15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965447
1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole
CID 161384973
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole
CID 170374759
6,12-diphenyl-5H-indolo[3,2-c]carbazole
CID 67494594
CID 174101214
CID 174101214
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-11H-indolo[2,3-a]carbazole
CID 167676898

Frequently Asked Questions

What is the IUPAC name of CID 174154038?
The IUPAC name of CID 174154038 (CID 174154038) is not available.
What is the SMILES notation for CID 174154038?
The canonical SMILES for CID 174154038 is [B]c1c([B])c([B])c(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)c([B])c1[B].
What is the InChIKey of CID 174154038?
The InChIKey is XZLCCIRRTCJABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19B5N2/c37-29-28(30(38)32(40)33(41)31(29)39)25-14-8-13-20(19-9-2-1-3-10-19)35(25)43-27-16-7-5-12-22(27)24-18-17-23-21-11-4-6-15-26(21)42-34(23)36(24)43/h1-18,42H.
What are the key properties of CID 174154038?
CID 174154038 has a molecular weight of 533.62 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174154038 is sourced from PubChem (CID 174154038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).