2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine

C73H96O7P2 — CID 11366860

IUPAC2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c2c(c1)C(C)(C)c1cc(C)cc(Op3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)c1O2
InChIInChI=1S/C73H96O7P2/c1-41-29-55-63(57(31-41)75-81-77-59-47(33-43(65(3,4)5)37-51(59)69(15,16)17)48-34-44(66(6,7)8)38-52(60(48)78-81)70(18,19)20)74-64-56(73(55,27)28)30-42(2)32-58(64)76-82-79-61-49(35-45(67(9,10)11)39-53(61)71(21,22)23)50-36-46(68(12,13)14)40-54(62(50)80-82)72(24,25)26/h29-40H,1-28H3
InChIKeyZGVNFXOOMHSOAG-UHFFFAOYSA-N
MW1147.51 g/mol
LogP24.01
Rot. Bonds4

About 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine

2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 11366860) has the molecular formula C73H96O7P2 and a molecular weight of 1147.51 g/mol. Its IUPAC name is 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID11366860
Molecular FormulaC73H96O7P2
Molecular Weight1147.51 g/mol
Exact Mass1146.66
IUPAC Name2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c2c(c1)C(C)(C)c1cc(C)cc(Op3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)c1O2
InChIInChI=1S/C73H96O7P2/c1-41-29-55-63(57(31-41)75-81-77-59-47(33-43(65(3,4)5)37-51(59)69(15,16)17)48-34-44(66(6,7)8)38-52(60(48)78-81)70(18,19)20)74-64-56(73(55,27)28)30-42(2)32-58(64)76-82-79-61-49(35-45(67(9,10)11)39-53(61)71(21,22)23)50-36-46(68(12,13)14)40-54(62(50)80-82)72(24,25)26/h29-40H,1-28H3
InChIKeyZGVNFXOOMHSOAG-UHFFFAOYSA-N
XLogP24.01
TPSA80.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.51
LogP ≤ 524.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine (CID 11366860) is 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c2c(c1)C(C)(C)c1cc(C)cc(Op3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)c1O2.
What is the InChIKey of 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is ZGVNFXOOMHSOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H96O7P2/c1-41-29-55-63(57(31-41)75-81-77-59-47(33-43(65(3,4)5)37-51(59)69(15,16)17)48-34-44(66(6,7)8)38-52(60(48)78-81)70(18,19)20)74-64-56(73(55,27)28)30-42(2)32-58(64)76-82-79-61-49(35-45(67(9,10)11)39-53(61)71(21,22)23)50-36-46(68(12,13)14)40-54(62(50)80-82)72(24,25)26/h29-40H,1-28H3.
What are the key properties of 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 1147.51 g/mol, XLogP of 24.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 11366860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).