CID 102285718

C92H142P4 — CID 102285718

IUPAC—
SMILESCCC(C)P1C(c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)=P(Cc2ccccc2CP2=C(c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)P(C(C)CC)C=2c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)=C1c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C92H142P4/c1-41-57(3)95-77(73-65(85(17,18)19)47-61(81(5,6)7)48-66(73)86(20,21)22)93(78(95)74-67(87(23,24)25)49-62(82(8,9)10)50-68(74)88(26,27)28)55-59-45-43-44-46-60(59)56-94-79(75-69(89(29,30)31)51-63(83(11,12)13)52-70(75)90(32,33)34)96(58(4)42-2)80(94)76-71(91(35,36)37)53-64(84(14,15)16)54-72(76)92(38,39)40/h43-54,57-58H,41-42,55-56H2,1-40H3
InChIKeyHOGBCKUEOLROGJ-UHFFFAOYSA-N
MW1372.04 g/mol
LogP28.52
Rot. Bonds12

About CID 102285718

CID 102285718 (PubChem CID 102285718) has the molecular formula C92H142P4 and a molecular weight of 1372.04 g/mol.

Molecular Properties

Compound NameCID 102285718
PubChem CID102285718
Molecular FormulaC92H142P4
Molecular Weight1372.04 g/mol
Exact Mass1371.01
IUPAC Name—
SMILESCCC(C)P1C(c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)=P(Cc2ccccc2CP2=C(c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)P(C(C)CC)C=2c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)=C1c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C92H142P4/c1-41-57(3)95-77(73-65(85(17,18)19)47-61(81(5,6)7)48-66(73)86(20,21)22)93(78(95)74-67(87(23,24)25)49-62(82(8,9)10)50-68(74)88(26,27)28)55-59-45-43-44-46-60(59)56-94-79(75-69(89(29,30)31)51-63(83(11,12)13)52-70(75)90(32,33)34)96(58(4)42-2)80(94)76-71(91(35,36)37)53-64(84(14,15)16)54-72(76)92(38,39)40/h43-54,57-58H,41-42,55-56H2,1-40H3
InChIKeyHOGBCKUEOLROGJ-UHFFFAOYSA-N
XLogP28.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001372.04
LogP ≤ 528.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 102285718?
The IUPAC name of CID 102285718 (CID 102285718) is not available.
What is the SMILES notation for CID 102285718?
The canonical SMILES for CID 102285718 is CCC(C)P1C(c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)=P(Cc2ccccc2CP2=C(c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)P(C(C)CC)C=2c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)=C1c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of CID 102285718?
The InChIKey is HOGBCKUEOLROGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H142P4/c1-41-57(3)95-77(73-65(85(17,18)19)47-61(81(5,6)7)48-66(73)86(20,21)22)93(78(95)74-67(87(23,24)25)49-62(82(8,9)10)50-68(74)88(26,27)28)55-59-45-43-44-46-60(59)56-94-79(75-69(89(29,30)31)51-63(83(11,12)13)52-70(75)90(32,33)34)96(58(4)42-2)80(94)76-71(91(35,36)37)53-64(84(14,15)16)54-72(76)92(38,39)40/h43-54,57-58H,41-42,55-56H2,1-40H3.
What are the key properties of CID 102285718?
CID 102285718 has a molecular weight of 1372.04 g/mol, XLogP of 28.52, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102285718 is sourced from PubChem (CID 102285718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).