triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium

C30H24N2P+ — CID 175029636

IUPACtriphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium
SMILESc1ccc([P+](Cc2cc3c(cn2)[nH]c2ccccc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24N2P/c1-4-12-24(13-5-1)33(25-14-6-2-7-15-25,26-16-8-3-9-17-26)22-23-20-28-27-18-10-11-19-29(27)32-30(28)21-31-23/h1-21,32H,22H2/q+1
InChIKeyYAPLIZDTYAKWIJ-UHFFFAOYSA-N
MW443.51 g/mol
LogP6.21
Rot. Bonds5

About triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium

triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium (PubChem CID 175029636) has the molecular formula C30H24N2P+ and a molecular weight of 443.51 g/mol. Its IUPAC name is triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium
PubChem CID175029636
Molecular FormulaC30H24N2P+
Molecular Weight443.51 g/mol
Exact Mass443.17
IUPAC Nametriphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium
SMILESc1ccc([P+](Cc2cc3c(cn2)[nH]c2ccccc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24N2P/c1-4-12-24(13-5-1)33(25-14-6-2-7-15-25,26-16-8-3-9-17-26)22-23-20-28-27-18-10-11-19-29(27)32-30(28)21-31-23/h1-21,32H,22H2/q+1
InChIKeyYAPLIZDTYAKWIJ-UHFFFAOYSA-N
XLogP6.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol
CID 129365033
bis(9H-carbazole);platinum(2+)
CID 175826437
(3-bromo-1H-indol-2-yl)methyl-triphenylphosphanium
CID 177284134
3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride
CID 77461260
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole
CID 66668984
1-(9H-pyrido[3,4-b]indol-3-yl)butan-1-one
CID 4713438
benzyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957539
9H-carbazole;copper
CID 159878189
1H-indol-3-ylmethyl(triphenyl)phosphanium
CID 140905729
methyl 3-phenyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 78593166
propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 10467488

Frequently Asked Questions

What is the IUPAC name of triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium?
The IUPAC name of triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium (CID 175029636) is triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium.
What is the SMILES notation for triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium?
The canonical SMILES for triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium is c1ccc([P+](Cc2cc3c(cn2)[nH]c2ccccc23)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium?
The InChIKey is YAPLIZDTYAKWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2P/c1-4-12-24(13-5-1)33(25-14-6-2-7-15-25,26-16-8-3-9-17-26)22-23-20-28-27-18-10-11-19-29(27)32-30(28)21-31-23/h1-21,32H,22H2/q+1.
What are the key properties of triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium?
triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium has a molecular weight of 443.51 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium is sourced from PubChem (CID 175029636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).