methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate

C60H52N4O10P2 — CID 90206442

IUPACmethyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(P(Oc2ccc3c(c2-c2c(OP(n4cc(C(=O)OC)c5ccccc54)n4cc(C(=O)OC)c5ccccc54)ccc4c2CCCC4)CCCC3)n2cc(C(=O)OC)c3ccccc32)c2ccccc12
InChIInChI=1S/C60H52N4O10P2/c1-69-57(65)45-33-61(49-25-13-9-21-41(45)49)75(62-34-46(58(66)70-2)42-22-10-14-26-50(42)62)73-53-31-29-37-17-5-7-19-39(37)55(53)56-40-20-8-6-18-38(40)30-32-54(56)74-76(63-35-47(59(67)71-3)43-23-11-15-27-51(43)63)64-36-48(60(68)72-4)44-24-12-16-28-52(44)64/h9-16,21-36H,5-8,17-20H2,1-4H3
InChIKeyRYRCOPWTDKUFSF-UHFFFAOYSA-N
MW1051.04 g/mol
LogP13.48
Rot. Bonds13

About methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate

methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate (PubChem CID 90206442) has the molecular formula C60H52N4O10P2 and a molecular weight of 1051.04 g/mol. Its IUPAC name is methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate
PubChem CID90206442
Molecular FormulaC60H52N4O10P2
Molecular Weight1051.04 g/mol
Exact Mass1050.32
IUPAC Namemethyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(P(Oc2ccc3c(c2-c2c(OP(n4cc(C(=O)OC)c5ccccc54)n4cc(C(=O)OC)c5ccccc54)ccc4c2CCCC4)CCCC3)n2cc(C(=O)OC)c3ccccc32)c2ccccc12
InChIInChI=1S/C60H52N4O10P2/c1-69-57(65)45-33-61(49-25-13-9-21-41(45)49)75(62-34-46(58(66)70-2)42-22-10-14-26-50(42)62)73-53-31-29-37-17-5-7-19-39(37)55(53)56-40-20-8-6-18-38(40)30-32-54(56)74-76(63-35-47(59(67)71-3)43-23-11-15-27-51(43)63)64-36-48(60(68)72-4)44-24-12-16-28-52(44)64/h9-16,21-36H,5-8,17-20H2,1-4H3
InChIKeyRYRCOPWTDKUFSF-UHFFFAOYSA-N
XLogP13.48
TPSA143.38 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.04
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate (CID 90206442) is methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate is COC(=O)c1cn(P(Oc2ccc3c(c2-c2c(OP(n4cc(C(=O)OC)c5ccccc54)n4cc(C(=O)OC)c5ccccc54)ccc4c2CCCC4)CCCC3)n2cc(C(=O)OC)c3ccccc32)c2ccccc12.
What is the InChIKey of methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate?
The InChIKey is RYRCOPWTDKUFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N4O10P2/c1-69-57(65)45-33-61(49-25-13-9-21-41(45)49)75(62-34-46(58(66)70-2)42-22-10-14-26-50(42)62)73-53-31-29-37-17-5-7-19-39(37)55(53)56-40-20-8-6-18-38(40)30-32-54(56)74-76(63-35-47(59(67)71-3)43-23-11-15-27-51(43)63)64-36-48(60(68)72-4)44-24-12-16-28-52(44)64/h9-16,21-36H,5-8,17-20H2,1-4H3.
What are the key properties of methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate?
methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate has a molecular weight of 1051.04 g/mol, XLogP of 13.48, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[1-[2-bis(3-methoxycarbonylindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-methoxycarbonylindol-1-yl)phosphanyl]indole-3-carboxylate is sourced from PubChem (CID 90206442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).