3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole

C67H53N5O4 — CID 127035684

IUPAC3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
SMILESc1ccc(COc2ccc3[nH]cc(C(c4cccc(C(c5c[nH]c6ccc(OCc7ccccc7)cc56)c5c[nH]c6ccc(OCc7ccccc7)cc56)n4)c4c[nH]c5ccc(OCc6ccccc6)cc45)c3c2)cc1
InChIInChI=1S/C67H53N5O4/c1-5-14-44(15-6-1)40-73-48-24-28-60-52(32-48)56(36-68-60)66(57-37-69-61-29-25-49(33-53(57)61)74-41-45-16-7-2-8-17-45)64-22-13-23-65(72-64)67(58-38-70-62-30-26-50(34-54(58)62)75-42-46-18-9-3-10-19-46)59-39-71-63-31-27-51(35-55(59)63)76-43-47-20-11-4-12-21-47/h1-39,66-71H,40-43H2
InChIKeyRTYNRQZLLRQYCX-UHFFFAOYSA-N
MW992.19 g/mol
LogP15.68
Rot. Bonds18

About 3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole

3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole (PubChem CID 127035684) has the molecular formula C67H53N5O4 and a molecular weight of 992.19 g/mol. Its IUPAC name is 3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
PubChem CID127035684
Molecular FormulaC67H53N5O4
Molecular Weight992.19 g/mol
Exact Mass991.41
IUPAC Name3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
SMILESc1ccc(COc2ccc3[nH]cc(C(c4cccc(C(c5c[nH]c6ccc(OCc7ccccc7)cc56)c5c[nH]c6ccc(OCc7ccccc7)cc56)n4)c4c[nH]c5ccc(OCc6ccccc6)cc45)c3c2)cc1
InChIInChI=1S/C67H53N5O4/c1-5-14-44(15-6-1)40-73-48-24-28-60-52(32-48)56(36-68-60)66(57-37-69-61-29-25-49(33-53(57)61)74-41-45-16-7-2-8-17-45)64-22-13-23-65(72-64)67(58-38-70-62-30-26-50(34-54(58)62)75-42-46-18-9-3-10-19-46)59-39-71-63-31-27-51(35-55(59)63)76-43-47-20-11-4-12-21-47/h1-39,66-71H,40-43H2
InChIKeyRTYNRQZLLRQYCX-UHFFFAOYSA-N
XLogP15.68
TPSA112.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.19
LogP ≤ 515.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole?
The IUPAC name of 3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole (CID 127035684) is 3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole.
What is the SMILES notation for 3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole?
The canonical SMILES for 3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole is c1ccc(COc2ccc3[nH]cc(C(c4cccc(C(c5c[nH]c6ccc(OCc7ccccc7)cc56)c5c[nH]c6ccc(OCc7ccccc7)cc56)n4)c4c[nH]c5ccc(OCc6ccccc6)cc45)c3c2)cc1.
What is the InChIKey of 3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole?
The InChIKey is RTYNRQZLLRQYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H53N5O4/c1-5-14-44(15-6-1)40-73-48-24-28-60-52(32-48)56(36-68-60)66(57-37-69-61-29-25-49(33-53(57)61)74-41-45-16-7-2-8-17-45)64-22-13-23-65(72-64)67(58-38-70-62-30-26-50(34-54(58)62)75-42-46-18-9-3-10-19-46)59-39-71-63-31-27-51(35-55(59)63)76-43-47-20-11-4-12-21-47/h1-39,66-71H,40-43H2.
What are the key properties of 3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole?
3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole has a molecular weight of 992.19 g/mol, XLogP of 15.68, 18 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole is sourced from PubChem (CID 127035684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).