3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol

C52H41N5O5 — CID 155543721

IUPAC3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C(/C=C/c3ccc(C(CC(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)cc3)c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C52H41N5O5/c58-30-6-12-48-38(17-30)43(23-53-48)35(44-24-54-49-13-7-31(59)18-39(44)49)11-3-28-1-4-29(5-2-28)36(45-25-55-50-14-8-32(60)19-40(45)50)22-37(46-26-56-51-15-9-33(61)20-41(46)51)47-27-57-52-16-10-34(62)21-42(47)52/h1-21,23-27,35-37,53-62H,22H2/b11-3+
InChIKeyFSZWPFSJOSEDTL-QDEBKDIKSA-N
MW815.93 g/mol
LogP11.82
Rot. Bonds10

About 3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol

3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol (PubChem CID 155543721) has the molecular formula C52H41N5O5 and a molecular weight of 815.93 g/mol. Its IUPAC name is 3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol
PubChem CID155543721
Molecular FormulaC52H41N5O5
Molecular Weight815.93 g/mol
Exact Mass815.31
IUPAC Name3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C(/C=C/c3ccc(C(CC(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)cc3)c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C52H41N5O5/c58-30-6-12-48-38(17-30)43(23-53-48)35(44-24-54-49-13-7-31(59)18-39(44)49)11-3-28-1-4-29(5-2-28)36(45-25-55-50-14-8-32(60)19-40(45)50)22-37(46-26-56-51-15-9-33(61)20-41(46)51)47-27-57-52-16-10-34(62)21-42(47)52/h1-21,23-27,35-37,53-62H,22H2/b11-3+
InChIKeyFSZWPFSJOSEDTL-QDEBKDIKSA-N
XLogP11.82
TPSA180.10 Ų
H-Bond Donors10
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.93
LogP ≤ 511.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol?
The IUPAC name of 3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol (CID 155543721) is 3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol?
The canonical SMILES for 3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(C(/C=C/c3ccc(C(CC(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)cc3)c3c[nH]c4ccc(O)cc34)c2c1.
What is the InChIKey of 3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol?
The InChIKey is FSZWPFSJOSEDTL-QDEBKDIKSA-N. The full InChI is InChI=1S/C52H41N5O5/c58-30-6-12-48-38(17-30)43(23-53-48)35(44-24-54-49-13-7-31(59)18-39(44)49)11-3-28-1-4-29(5-2-28)36(45-25-55-50-14-8-32(60)19-40(45)50)22-37(46-26-56-51-15-9-33(61)20-41(46)51)47-27-57-52-16-10-34(62)21-42(47)52/h1-21,23-27,35-37,53-62H,22H2/b11-3+.
What are the key properties of 3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol?
3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol has a molecular weight of 815.93 g/mol, XLogP of 11.82, 10 rotatable bonds, 10 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol is sourced from PubChem (CID 155543721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).