bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene

C49H44N4OP2 — CID 142265908

IUPACbis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene
SMILESCc1cccc2c1Oc1c(C)cccc1C2(C)C.c1ccc2c(c1)ccn2Pn1ccc2ccccc21.c1ccc2c(c1)ccn2Pn1ccc2ccccc21
InChIInChI=1S/C17H18O.2C16H13N2P/c1-11-7-5-9-13-15(11)18-16-12(2)8-6-10-14(16)17(13,3)4;2*1-3-7-15-13(5-1)9-11-17(15)19-18-12-10-14-6-2-4-8-16(14)18/h5-10H,1-4H3;2*1-12,19H
InChIKeyJHIYSDWPEVZDRP-UHFFFAOYSA-N
MW766.87 g/mol
LogP13.74
Rot. Bonds4

About bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene

bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene (PubChem CID 142265908) has the molecular formula C49H44N4OP2 and a molecular weight of 766.87 g/mol. Its IUPAC name is bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene.

Molecular Properties

Compound Namebis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene
PubChem CID142265908
Molecular FormulaC49H44N4OP2
Molecular Weight766.87 g/mol
Exact Mass766.30
IUPAC Namebis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene
SMILESCc1cccc2c1Oc1c(C)cccc1C2(C)C.c1ccc2c(c1)ccn2Pn1ccc2ccccc21.c1ccc2c(c1)ccn2Pn1ccc2ccccc21
InChIInChI=1S/C17H18O.2C16H13N2P/c1-11-7-5-9-13-15(11)18-16-12(2)8-6-10-14(16)17(13,3)4;2*1-3-7-15-13(5-1)9-11-17(15)19-18-12-10-14-6-2-4-8-16(14)18/h5-10H,1-4H3;2*1-12,19H
InChIKeyJHIYSDWPEVZDRP-UHFFFAOYSA-N
XLogP13.74
TPSA28.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.87
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
CID 20727371
[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
4,5-diiodo-9,9-dimethylxanthene
CID 10813897
(5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane
CID 66559430
2-[3-[5-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylxanthen-4-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine;2-[4-[5-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylxanthen-4-yl]phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine;2-[3-[9,9-dimethyl-5-[3-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]xanthen-4-yl]phenyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine;2-[3-[9,9-dimethyl-5-[3-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]xanthen-4-yl]phenyl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine;2-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylxanthen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159771367
3,7-dimethyl-3-phenyl-2H-1-benzofuran
CID 150065671
(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium
CID 155935452
ethane;1-methylindole;1-methyltriphenylene
CID 159697766
ethane;2,3,3,7-tetramethyl-2H-1-benzofuran
CID 91295864
3,3-dimethyl-7-(2-methylphenoxy)-1-benzofuran-2-one
CID 13066703
[5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane
CID 20727373
(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
CID 145025633

Frequently Asked Questions

What is the IUPAC name of bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene?
The IUPAC name of bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene (CID 142265908) is bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene.
What is the SMILES notation for bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene?
The canonical SMILES for bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene is Cc1cccc2c1Oc1c(C)cccc1C2(C)C.c1ccc2c(c1)ccn2Pn1ccc2ccccc21.c1ccc2c(c1)ccn2Pn1ccc2ccccc21.
What is the InChIKey of bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene?
The InChIKey is JHIYSDWPEVZDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O.2C16H13N2P/c1-11-7-5-9-13-15(11)18-16-12(2)8-6-10-14(16)17(13,3)4;2*1-3-7-15-13(5-1)9-11-17(15)19-18-12-10-14-6-2-4-8-16(14)18/h5-10H,1-4H3;2*1-12,19H.
What are the key properties of bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene?
bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene has a molecular weight of 766.87 g/mol, XLogP of 13.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene is sourced from PubChem (CID 142265908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).