5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole

C27H22P2 — CID 11732291

IUPAC5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole
SMILESc1ccc2c(c1)c1ccccc1p2CCCp1c2ccccc2c2ccccc21
InChIInChI=1S/C27H22P2/c1-5-14-24-20(10-1)21-11-2-6-15-25(21)28(24)18-9-19-29-26-16-7-3-12-22(26)23-13-4-8-17-27(23)29/h1-8,10-17H,9,18-19H2
InChIKeyXTHLOBABSKZWBD-UHFFFAOYSA-N
MW408.42 g/mol
LogP9.36
Rot. Bonds4

About 5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole

5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole (PubChem CID 11732291) has the molecular formula C27H22P2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole.

Molecular Properties

Compound Name5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole
PubChem CID11732291
Molecular FormulaC27H22P2
Molecular Weight408.42 g/mol
Exact Mass408.12
IUPAC Name5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole
SMILESc1ccc2c(c1)c1ccccc1p2CCCp1c2ccccc2c2ccccc21
InChIInChI=1S/C27H22P2/c1-5-14-24-20(10-1)21-11-2-6-15-25(21)28(24)18-9-19-29-26-16-7-3-12-22(26)23-13-4-8-17-27(23)29/h1-8,10-17H,9,18-19H2
InChIKeyXTHLOBABSKZWBD-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-Phenyl-5h-benzo[b]phosphindole
CID 258370
(2R,5R)-1-(2-((2R,5R)-2,5-diphenylphospholan-1-yl)ethyl)-2,5-diphenylphospholane
CID 11420783
(+)-1,2-Bis((2S,5S)-2,5-diphenylphospholano)ethane
CID 16218207
5-Ethyl-5H-dibenzophosphole
CID 428663
5-Methyl-5H-dibenzophosphole
CID 5325075
7-Phenyl-7H-7-phospha-dibenzo[c,g]fluorene
CID 14940222
2-(3,4-Dimethyl-1-phenylphosphol-2-yl)-3,4-dimethyl-1-phenylphosphole
CID 6396548
5-Benzyldibenzophosphol
CID 12575260
2,3,4,5-Tetraphenyl-1H-phosphole
CID 12905807
1,2-Diphenylphosphindole
CID 13153790
12-Methyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 14940223
1-Benzyl-2,3,4,5-tetraphenylphosphole
CID 134907229

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole?
The IUPAC name of 5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole (CID 11732291) is 5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole.
What is the SMILES notation for 5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole?
The canonical SMILES for 5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole is c1ccc2c(c1)c1ccccc1p2CCCp1c2ccccc2c2ccccc21.
What is the InChIKey of 5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole?
The InChIKey is XTHLOBABSKZWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22P2/c1-5-14-24-20(10-1)21-11-2-6-15-25(21)28(24)18-9-19-29-26-16-7-3-12-22(26)23-13-4-8-17-27(23)29/h1-8,10-17H,9,18-19H2.
What are the key properties of 5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole?
5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole has a molecular weight of 408.42 g/mol, XLogP of 9.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole is sourced from PubChem (CID 11732291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).