CID 174096780

C18H9B3ClN — CID 174096780

IUPAC—
SMILES[B]c1c(Cl)c([B])c2c3ccccc3n(-c3ccccc3)c2c1[B]
InChIInChI=1S/C18H9B3ClN/c19-14-13-11-8-4-5-9-12(11)23(10-6-2-1-3-7-10)18(13)16(21)15(20)17(14)22/h1-9H
InChIKeyFHCXLGLQKRHSSH-UHFFFAOYSA-N
MW307.17 g/mol
LogP1.82
Rot. Bonds1

About CID 174096780

CID 174096780 (PubChem CID 174096780) has the molecular formula C18H9B3ClN and a molecular weight of 307.17 g/mol.

Molecular Properties

Compound NameCID 174096780
PubChem CID174096780
Molecular FormulaC18H9B3ClN
Molecular Weight307.17 g/mol
Exact Mass307.07
IUPAC Name—
SMILES[B]c1c(Cl)c([B])c2c3ccccc3n(-c3ccccc3)c2c1[B]
InChIInChI=1S/C18H9B3ClN/c19-14-13-11-8-4-5-9-12(11)23(10-6-2-1-3-7-10)18(13)16(21)15(20)17(14)22/h1-9H
InChIKeyFHCXLGLQKRHSSH-UHFFFAOYSA-N
XLogP1.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 174096772
CID 174096772
3,24-diphenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122523763
CID 174096232
CID 174096232
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
8-chloro-5,12-diphenylindolo[3,2-c]carbazole
CID 147599556
12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 130452310
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
18-phenyl-9,21-bis(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729733
9,18-diphenyl-21-(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729666
4-phenyl-4,19-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.020,25.026,30]triaconta-1(29),2(18),3(11),5,7,9,12,14,16,20,22,24,26(30),27-tetradecaene
CID 163748351
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235

Frequently Asked Questions

What is the IUPAC name of CID 174096780?
The IUPAC name of CID 174096780 (CID 174096780) is not available.
What is the SMILES notation for CID 174096780?
The canonical SMILES for CID 174096780 is [B]c1c(Cl)c([B])c2c3ccccc3n(-c3ccccc3)c2c1[B].
What is the InChIKey of CID 174096780?
The InChIKey is FHCXLGLQKRHSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9B3ClN/c19-14-13-11-8-4-5-9-12(11)23(10-6-2-1-3-7-10)18(13)16(21)15(20)17(14)22/h1-9H.
What are the key properties of CID 174096780?
CID 174096780 has a molecular weight of 307.17 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174096780 is sourced from PubChem (CID 174096780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).