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

C86H62N8O8 — CID 155544541

IUPAC3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C(c3ccc(-c4cc(C(c5c[nH]c6ccc(O)cc56)c5c[nH]c6ccc(O)cc56)c(-c5ccc(C(c6c[nH]c7ccc(O)cc67)c6c[nH]c7ccc(O)cc67)cc5)cc4C(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)cc3)c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C86H62N8O8/c95-47-9-17-75-57(25-47)67(35-87-75)83(68-36-88-76-18-10-48(96)26-58(68)76)45-5-1-43(2-6-45)55-33-66(86(73-41-93-81-23-15-53(101)31-63(73)81)74-42-94-82-24-16-54(102)32-64(74)82)56(34-65(55)85(71-39-91-79-21-13-51(99)29-61(71)79)72-40-92-80-22-14-52(100)30-62(72)80)44-3-7-46(8-4-44)84(69-37-89-77-19-11-49(97)27-59(69)77)70-38-90-78-20-12-50(98)28-60(70)78/h1-42,83-102H
InChIKeyFPVMJMXKLHGKKB-UHFFFAOYSA-N
MW1335.49 g/mol
LogP19.24
Rot. Bonds14

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

3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol (PubChem CID 155544541) has the molecular formula C86H62N8O8 and a molecular weight of 1335.49 g/mol. Its IUPAC name is 3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
PubChem CID155544541
Molecular FormulaC86H62N8O8
Molecular Weight1335.49 g/mol
Exact Mass1334.47
IUPAC Name3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C(c3ccc(-c4cc(C(c5c[nH]c6ccc(O)cc56)c5c[nH]c6ccc(O)cc56)c(-c5ccc(C(c6c[nH]c7ccc(O)cc67)c6c[nH]c7ccc(O)cc67)cc5)cc4C(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)cc3)c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C86H62N8O8/c95-47-9-17-75-57(25-47)67(35-87-75)83(68-36-88-76-18-10-48(96)26-58(68)76)45-5-1-43(2-6-45)55-33-66(86(73-41-93-81-23-15-53(101)31-63(73)81)74-42-94-82-24-16-54(102)32-64(74)82)56(34-65(55)85(71-39-91-79-21-13-51(99)29-61(71)79)72-40-92-80-22-14-52(100)30-62(72)80)44-3-7-46(8-4-44)84(69-37-89-77-19-11-49(97)27-59(69)77)70-38-90-78-20-12-50(98)28-60(70)78/h1-42,83-102H
InChIKeyFPVMJMXKLHGKKB-UHFFFAOYSA-N
XLogP19.24
TPSA288.16 Ų
H-Bond Donors16
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001335.49
LogP ≤ 519.24
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol?
The IUPAC name of 3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol (CID 155544541) is 3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol?
The canonical SMILES for 3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(C(c3ccc(-c4cc(C(c5c[nH]c6ccc(O)cc56)c5c[nH]c6ccc(O)cc56)c(-c5ccc(C(c6c[nH]c7ccc(O)cc67)c6c[nH]c7ccc(O)cc67)cc5)cc4C(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)cc3)c3c[nH]c4ccc(O)cc34)c2c1.
What is the InChIKey of 3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol?
The InChIKey is FPVMJMXKLHGKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H62N8O8/c95-47-9-17-75-57(25-47)67(35-87-75)83(68-36-88-76-18-10-48(96)26-58(68)76)45-5-1-43(2-6-45)55-33-66(86(73-41-93-81-23-15-53(101)31-63(73)81)74-42-94-82-24-16-54(102)32-64(74)82)56(34-65(55)85(71-39-91-79-21-13-51(99)29-61(71)79)72-40-92-80-22-14-52(100)30-62(72)80)44-3-7-46(8-4-44)84(69-37-89-77-19-11-49(97)27-59(69)77)70-38-90-78-20-12-50(98)28-60(70)78/h1-42,83-102H.
What are the key properties of 3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol?
3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol has a molecular weight of 1335.49 g/mol, XLogP of 19.24, 14 rotatable bonds, 16 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2,5-bis[bis(5-hydroxy-1H-indol-3-yl)methyl]-4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol is sourced from PubChem (CID 155544541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).