3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol

C42H34N4O4 — CID 155565501

IUPAC3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C(Cc3ccc(CC(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)cc3)c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C42H34N4O4/c47-25-5-9-39-31(15-25)35(19-43-39)29(36-20-44-40-10-6-26(48)16-32(36)40)13-23-1-2-24(4-3-23)14-30(37-21-45-41-11-7-27(49)17-33(37)41)38-22-46-42-12-8-28(50)18-34(38)42/h1-12,15-22,29-30,43-50H,13-14H2
InChIKeyFNLDDPDCFQNBAV-UHFFFAOYSA-N
MW658.76 g/mol
LogP9.18
Rot. Bonds8

About 3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol

3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol (PubChem CID 155565501) has the molecular formula C42H34N4O4 and a molecular weight of 658.76 g/mol. Its IUPAC name is 3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
PubChem CID155565501
Molecular FormulaC42H34N4O4
Molecular Weight658.76 g/mol
Exact Mass658.26
IUPAC Name3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C(Cc3ccc(CC(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)cc3)c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C42H34N4O4/c47-25-5-9-39-31(15-25)35(19-43-39)29(36-20-44-40-10-6-26(48)16-32(36)40)13-23-1-2-24(4-3-23)14-30(37-21-45-41-11-7-27(49)17-33(37)41)38-22-46-42-12-8-28(50)18-34(38)42/h1-12,15-22,29-30,43-50H,13-14H2
InChIKeyFNLDDPDCFQNBAV-UHFFFAOYSA-N
XLogP9.18
TPSA144.08 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500658.76
LogP ≤ 59.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-hydroxy-1H-indol-3-yl)propanedioic acid
CID 91074600
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol
CID 102450414
3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol
CID 84737251
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-[2-amino-1-(ethylamino)ethyl]-1H-indol-5-ol
CID 141212916
3-[2-(4-tert-butylphenyl)-1-(1H-indol-3-yl)ethyl]-1H-indole
CID 132529632
3-fluoro-1H-indol-5-ol
CID 105429509
3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol
CID 139526498
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol
CID 152819543
3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
CID 67100143

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol?
The IUPAC name of 3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol (CID 155565501) is 3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol?
The canonical SMILES for 3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(C(Cc3ccc(CC(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)cc3)c3c[nH]c4ccc(O)cc34)c2c1.
What is the InChIKey of 3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol?
The InChIKey is FNLDDPDCFQNBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N4O4/c47-25-5-9-39-31(15-25)35(19-43-39)29(36-20-44-40-10-6-26(48)16-32(36)40)13-23-1-2-24(4-3-23)14-30(37-21-45-41-11-7-27(49)17-33(37)41)38-22-46-42-12-8-28(50)18-34(38)42/h1-12,15-22,29-30,43-50H,13-14H2.
What are the key properties of 3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol?
3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol has a molecular weight of 658.76 g/mol, XLogP of 9.18, 8 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol is sourced from PubChem (CID 155565501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).