CID 102264304

C98H146P4 — CID 102264304

IUPAC—
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C2=P(Cc3ccc(-c4ccc(CP5=C(c6c(C(C)(C)C)cc(C(C)(C)C)cc6C(C)(C)C)P(C(C)(C)C)C=5c5c(C(C)(C)C)cc(C(C)(C)C)cc5C(C)(C)C)cc4)cc3)=C(c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)P2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C98H146P4/c1-85(2,3)65-51-69(89(13,14)15)77(70(52-65)90(16,17)18)81-99(82(101(81)97(37,38)39)78-71(91(19,20)21)53-66(86(4,5)6)54-72(78)92(22,23)24)59-61-43-47-63(48-44-61)64-49-45-62(46-50-64)60-100-83(79-73(93(25,26)27)55-67(87(7,8)9)56-74(79)94(28,29)30)102(98(40,41)42)84(100)80-75(95(31,32)33)57-68(88(10,11)12)58-76(80)96(34,35)36/h43-58H,59-60H2,1-42H3
InChIKeyAESCSXZSAUFYFL-UHFFFAOYSA-N
MW1448.14 g/mol
LogP30.19
Rot. Bonds9

About CID 102264304

CID 102264304 (PubChem CID 102264304) has the molecular formula C98H146P4 and a molecular weight of 1448.14 g/mol.

Molecular Properties

Compound NameCID 102264304
PubChem CID102264304
Molecular FormulaC98H146P4
Molecular Weight1448.14 g/mol
Exact Mass1447.04
IUPAC Name—
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C2=P(Cc3ccc(-c4ccc(CP5=C(c6c(C(C)(C)C)cc(C(C)(C)C)cc6C(C)(C)C)P(C(C)(C)C)C=5c5c(C(C)(C)C)cc(C(C)(C)C)cc5C(C)(C)C)cc4)cc3)=C(c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)P2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C98H146P4/c1-85(2,3)65-51-69(89(13,14)15)77(70(52-65)90(16,17)18)81-99(82(101(81)97(37,38)39)78-71(91(19,20)21)53-66(86(4,5)6)54-72(78)92(22,23)24)59-61-43-47-63(48-44-61)64-49-45-62(46-50-64)60-100-83(79-73(93(25,26)27)55-67(87(7,8)9)56-74(79)94(28,29)30)102(98(40,41)42)84(100)80-75(95(31,32)33)57-68(88(10,11)12)58-76(80)96(34,35)36/h43-58H,59-60H2,1-42H3
InChIKeyAESCSXZSAUFYFL-UHFFFAOYSA-N
XLogP30.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001448.14
LogP ≤ 530.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102264304?
The IUPAC name of CID 102264304 (CID 102264304) is not available.
What is the SMILES notation for CID 102264304?
The canonical SMILES for CID 102264304 is CC(C)(C)c1cc(C(C)(C)C)c(C2=P(Cc3ccc(-c4ccc(CP5=C(c6c(C(C)(C)C)cc(C(C)(C)C)cc6C(C)(C)C)P(C(C)(C)C)C=5c5c(C(C)(C)C)cc(C(C)(C)C)cc5C(C)(C)C)cc4)cc3)=C(c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)P2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of CID 102264304?
The InChIKey is AESCSXZSAUFYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H146P4/c1-85(2,3)65-51-69(89(13,14)15)77(70(52-65)90(16,17)18)81-99(82(101(81)97(37,38)39)78-71(91(19,20)21)53-66(86(4,5)6)54-72(78)92(22,23)24)59-61-43-47-63(48-44-61)64-49-45-62(46-50-64)60-100-83(79-73(93(25,26)27)55-67(87(7,8)9)56-74(79)94(28,29)30)102(98(40,41)42)84(100)80-75(95(31,32)33)57-68(88(10,11)12)58-76(80)96(34,35)36/h43-58H,59-60H2,1-42H3.
What are the key properties of CID 102264304?
CID 102264304 has a molecular weight of 1448.14 g/mol, XLogP of 30.19, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102264304 is sourced from PubChem (CID 102264304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).