4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane

C72H52O6P2 — CID 58202650

IUPAC4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane
SMILESc1ccc(C2(c3ccccc3)OP(Oc3ccc4ccccc4c3-c3c(OP4OC(c5ccccc5)(c5ccccc5)C(c5ccccc5)(c5ccccc5)O4)ccc4ccccc34)OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C72H52O6P2/c1-9-31-55(32-10-1)69(56-33-11-2-12-34-56)70(57-35-13-3-14-36-57,58-37-15-4-16-38-58)76-79(75-69)73-65-51-49-53-29-25-27-47-63(53)67(65)68-64-48-28-26-30-54(64)50-52-66(68)74-80-77-71(59-39-17-5-18-40-59,60-41-19-6-20-42-60)72(78-80,61-43-21-7-22-44-61)62-45-23-8-24-46-62/h1-52H
InChIKeyXLEZYVVCFONHKN-UHFFFAOYSA-N
MW1075.15 g/mol
LogP18.74
Rot. Bonds13

About 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane

4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane (PubChem CID 58202650) has the molecular formula C72H52O6P2 and a molecular weight of 1075.15 g/mol. Its IUPAC name is 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane
PubChem CID58202650
Molecular FormulaC72H52O6P2
Molecular Weight1075.15 g/mol
Exact Mass1074.32
IUPAC Name4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane
SMILESc1ccc(C2(c3ccccc3)OP(Oc3ccc4ccccc4c3-c3c(OP4OC(c5ccccc5)(c5ccccc5)C(c5ccccc5)(c5ccccc5)O4)ccc4ccccc34)OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C72H52O6P2/c1-9-31-55(32-10-1)69(56-33-11-2-12-34-56)70(57-35-13-3-14-36-57,58-37-15-4-16-38-58)76-79(75-69)73-65-51-49-53-29-25-27-47-63(53)67(65)68-64-48-28-26-30-54(64)50-52-66(68)74-80-77-71(59-39-17-5-18-40-59,60-41-19-6-20-42-60)72(78-80,61-43-21-7-22-44-61)62-45-23-8-24-46-62/h1-52H
InChIKeyXLEZYVVCFONHKN-UHFFFAOYSA-N
XLogP18.74
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.15
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane?
The IUPAC name of 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane (CID 58202650) is 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane.
What is the SMILES notation for 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane?
The canonical SMILES for 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane is c1ccc(C2(c3ccccc3)OP(Oc3ccc4ccccc4c3-c3c(OP4OC(c5ccccc5)(c5ccccc5)C(c5ccccc5)(c5ccccc5)O4)ccc4ccccc34)OC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane?
The InChIKey is XLEZYVVCFONHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52O6P2/c1-9-31-55(32-10-1)69(56-33-11-2-12-34-56)70(57-35-13-3-14-36-57,58-37-15-4-16-38-58)76-79(75-69)73-65-51-49-53-29-25-27-47-63(53)67(65)68-64-48-28-26-30-54(64)50-52-66(68)74-80-77-71(59-39-17-5-18-40-59,60-41-19-6-20-42-60)72(78-80,61-43-21-7-22-44-61)62-45-23-8-24-46-62/h1-52H.
What are the key properties of 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane?
4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane has a molecular weight of 1075.15 g/mol, XLogP of 18.74, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane is sourced from PubChem (CID 58202650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).