dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole

C22H21N3O5P+ — CID 174598313

IUPACdihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole
SMILESO=Cc1cc2ccccc2[nH]1.O=Cc1cc2ccccc2[nH]1.O=[P+](O)O.c1cc[nH]c1
InChIInChI=1S/2C9H7NO.C4H5N.HO3P/c2*11-6-8-5-7-3-1-2-4-9(7)10-8;1-2-4-5-3-1;1-4(2)3/h2*1-6,10H;1-5H;(H-,1,2,3)/p+1
InChIKeyMBQFAHDNJDCCNO-UHFFFAOYSA-O
MW438.40 g/mol
LogP4.60
Rot. Bonds2

About dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole

dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole (PubChem CID 174598313) has the molecular formula C22H21N3O5P+ and a molecular weight of 438.40 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole
PubChem CID174598313
Molecular FormulaC22H21N3O5P+
Molecular Weight438.40 g/mol
Exact Mass438.12
IUPAC Namedihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole
SMILESO=Cc1cc2ccccc2[nH]1.O=Cc1cc2ccccc2[nH]1.O=[P+](O)O.c1cc[nH]c1
InChIInChI=1S/2C9H7NO.C4H5N.HO3P/c2*11-6-8-5-7-3-1-2-4-9(7)10-8;1-2-4-5-3-1;1-4(2)3/h2*1-6,10H;1-5H;(H-,1,2,3)/p+1
InChIKeyMBQFAHDNJDCCNO-UHFFFAOYSA-O
XLogP4.60
TPSA139.04 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 54.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
CID 165076117
(E)-3-(1H-indol-2-yl)-2-methylprop-2-enal
CID 142626231
6-hydroxy-1H-indole-2-carbaldehyde
CID 82415497
2-(2-nitroprop-1-enyl)-1H-indole
CID 140830257
3-(1H-indol-2-yl)-2-sulfanylprop-2-enoic acid
CID 73474273
2-ethenyl-1H-indole;thiophene-2-carbaldehyde
CID 174484056
2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-indole
CID 87352678
ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate
CID 143581966
ethane;ethyl (E)-3-(1H-indol-2-yl)prop-2-enoate
CID 145445804
3-(1H-indol-2-ylmethylidene)indene-1,2-dione
CID 175834648
2-(4-methoxypenta-1,4-dienyl)-1H-indole
CID 142763611
methyl (Z)-2-chloro-3-(1H-indol-2-yl)prop-2-enoate
CID 23544871

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole?
The IUPAC name of dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole (CID 174598313) is dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole.
What is the SMILES notation for dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole?
The canonical SMILES for dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole is O=Cc1cc2ccccc2[nH]1.O=Cc1cc2ccccc2[nH]1.O=[P+](O)O.c1cc[nH]c1.
What is the InChIKey of dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole?
The InChIKey is MBQFAHDNJDCCNO-UHFFFAOYSA-O. The full InChI is InChI=1S/2C9H7NO.C4H5N.HO3P/c2*11-6-8-5-7-3-1-2-4-9(7)10-8;1-2-4-5-3-1;1-4(2)3/h2*1-6,10H;1-5H;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole?
dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole has a molecular weight of 438.40 g/mol, XLogP of 4.60, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole is sourced from PubChem (CID 174598313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).