5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole

C32H30P2 — CID 22648422

IUPAC5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole
SMILESc1ccc2c(c1)c1ccccc1p2CC1CCCCC1Cp1c2ccccc2c2ccccc21
InChIInChI=1S/C32H30P2/c1-2-12-24(22-34-31-19-9-5-15-27(31)28-16-6-10-20-32(28)34)23(11-1)21-33-29-17-7-3-13-25(29)26-14-4-8-18-30(26)33/h3-10,13-20,23-24H,1-2,11-12,21-22H2
InChIKeyGBYSDRJRLKCXRF-UHFFFAOYSA-N
MW476.54 g/mol
LogP10.78
Rot. Bonds4

About 5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole

5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole (PubChem CID 22648422) has the molecular formula C32H30P2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole.

Molecular Properties

Compound Name5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole
PubChem CID22648422
Molecular FormulaC32H30P2
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC Name5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole
SMILESc1ccc2c(c1)c1ccccc1p2CC1CCCCC1Cp1c2ccccc2c2ccccc21
InChIInChI=1S/C32H30P2/c1-2-12-24(22-34-31-19-9-5-15-27(31)28-16-6-10-20-32(28)34)23(11-1)21-33-29-17-7-3-13-25(29)26-14-4-8-18-30(26)33/h3-10,13-20,23-24H,1-2,11-12,21-22H2
InChIKeyGBYSDRJRLKCXRF-UHFFFAOYSA-N
XLogP10.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole?
The IUPAC name of 5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole (CID 22648422) is 5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole.
What is the SMILES notation for 5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole?
The canonical SMILES for 5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole is c1ccc2c(c1)c1ccccc1p2CC1CCCCC1Cp1c2ccccc2c2ccccc21.
What is the InChIKey of 5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole?
The InChIKey is GBYSDRJRLKCXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30P2/c1-2-12-24(22-34-31-19-9-5-15-27(31)28-16-6-10-20-32(28)34)23(11-1)21-33-29-17-7-3-13-25(29)26-14-4-8-18-30(26)33/h3-10,13-20,23-24H,1-2,11-12,21-22H2.
What are the key properties of 5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole?
5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole has a molecular weight of 476.54 g/mol, XLogP of 10.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(benzo[b]phosphindol-5-ylmethyl)cyclohexyl]methyl]benzo[b]phosphindole is sourced from PubChem (CID 22648422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).