11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid

About 11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid

11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid (PubChem CID 102160128) has the molecular formula C65H81O7P and a molecular weight of 1005.33 g/mol. Its IUPAC name is 11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid.

Molecular Properties

Compound Name	11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid
PubChem CID	102160128
Molecular Formula	C65H81O7P
Molecular Weight	1005.33 g/mol
Exact Mass	1004.57
IUPAC Name	11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid
SMILES	CCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1c(OCCC)c(cc(C(=O)O)c1P(=O)(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCCC)C2
InChI	InChI=1S/C65H81O7P/c1-14-28-69-57-43-32-44-36-51(64(8,9)10)39-47(58(44)70-29-15-2)34-48-42-56(62(66)67)61(73(68,53-24-20-18-21-25-53)54-26-22-19-23-27-54)55(60(48)72-31-17-4)41-49-40-52(65(11,12)13)38-46(59(49)71-30-16-3)33-45(57)37-50(35-43)63(5,6)7/h18-27,35-40,42H,14-17,28-34,41H2,1-13H3,(H,66,67)
InChIKey	ZFIKOLHLBDCJEI-UHFFFAOYSA-N
XLogP	14.75
TPSA	91.29 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	16
Heavy Atoms	73
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.33
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid?

The IUPAC name of 11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid (CID 102160128) is 11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid.

What is the SMILES notation for 11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid?

The canonical SMILES for 11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid is CCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1c(OCCC)c(cc(C(=O)O)c1P(=O)(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCCC)C2.

What is the InChIKey of 11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid?

The InChIKey is ZFIKOLHLBDCJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H81O7P/c1-14-28-69-57-43-32-44-36-51(64(8,9)10)39-47(58(44)70-29-15-2)34-48-42-56(62(66)67)61(73(68,53-24-20-18-21-25-53)54-26-22-19-23-27-54)55(60(48)72-31-17-4)41-49-40-52(65(11,12)13)38-46(59(49)71-30-16-3)33-45(57)37-50(35-43)63(5,6)7/h18-27,35-40,42H,14-17,28-34,41H2,1-13H3,(H,66,67).

What are the key properties of 11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid?

11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid has a molecular weight of 1005.33 g/mol, XLogP of 14.75, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid is sourced from PubChem (CID 102160128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).