1,10-phenanthrolin-5-yl(triphenyl)boranuide

C30H22BN2- — CID 58963801

IUPAC1,10-phenanthrolin-5-yl(triphenyl)boranuide
SMILESc1ccc([B-](c2ccccc2)(c2ccccc2)c2cc3cccnc3c3ncccc23)cc1
InChIInChI=1S/C30H22BN2/c1-4-13-24(14-5-1)31(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28-22-23-12-10-20-32-29(23)30-27(28)19-11-21-33-30/h1-22H/q-1
InChIKeyVPVHYBLYDBJILV-UHFFFAOYSA-N
MW421.33 g/mol
LogP4.16
Rot. Bonds4

About 1,10-phenanthrolin-5-yl(triphenyl)boranuide

1,10-phenanthrolin-5-yl(triphenyl)boranuide (PubChem CID 58963801) has the molecular formula C30H22BN2- and a molecular weight of 421.33 g/mol. Its IUPAC name is 1,10-phenanthrolin-5-yl(triphenyl)boranuide.

Molecular Properties

Compound Name1,10-phenanthrolin-5-yl(triphenyl)boranuide
PubChem CID58963801
Molecular FormulaC30H22BN2-
Molecular Weight421.33 g/mol
Exact Mass421.19
IUPAC Name1,10-phenanthrolin-5-yl(triphenyl)boranuide
SMILESc1ccc([B-](c2ccccc2)(c2ccccc2)c2cc3cccnc3c3ncccc23)cc1
InChIInChI=1S/C30H22BN2/c1-4-13-24(14-5-1)31(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28-22-23-12-10-20-32-29(23)30-27(28)19-11-21-33-30/h1-22H/q-1
InChIKeyVPVHYBLYDBJILV-UHFFFAOYSA-N
XLogP4.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.16
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

naphtho[2,3-f][1,10]phenanthroline
CID 15381524
5-phenylselanyl-1,10-phenanthroline
CID 138964900
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633
5-[3-[4,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 153466323
iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 148799721
5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023236
4,10,13,19,23,29,32,38-octazanonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),2,4,6(11),7,9,12(17),13,15,18,20,23,25(30),26,28,31(36),32,34,37-nonadecaene;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrachloride
CID 71762373
5-ethynyl-1,10-phenanthroline
CID 10703368
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
benzo[g]quinolin-10-amine
CID 23616349
5-[bis(1,10-phenanthrolin-5-yl)phosphoryl]-1,10-phenanthroline
CID 88535892

Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthrolin-5-yl(triphenyl)boranuide?
The IUPAC name of 1,10-phenanthrolin-5-yl(triphenyl)boranuide (CID 58963801) is 1,10-phenanthrolin-5-yl(triphenyl)boranuide.
What is the SMILES notation for 1,10-phenanthrolin-5-yl(triphenyl)boranuide?
The canonical SMILES for 1,10-phenanthrolin-5-yl(triphenyl)boranuide is c1ccc([B-](c2ccccc2)(c2ccccc2)c2cc3cccnc3c3ncccc23)cc1.
What is the InChIKey of 1,10-phenanthrolin-5-yl(triphenyl)boranuide?
The InChIKey is VPVHYBLYDBJILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BN2/c1-4-13-24(14-5-1)31(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28-22-23-12-10-20-32-29(23)30-27(28)19-11-21-33-30/h1-22H/q-1.
What are the key properties of 1,10-phenanthrolin-5-yl(triphenyl)boranuide?
1,10-phenanthrolin-5-yl(triphenyl)boranuide has a molecular weight of 421.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthrolin-5-yl(triphenyl)boranuide is sourced from PubChem (CID 58963801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).