1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol

C69H50O6 — CID 138492957

IUPAC1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Cc1cc(C2(c3cc(Cc4c(O)ccc5ccccc45)c(O)c(Cc4c(O)ccc5ccccc45)c3)c3ccccc3-c3ccccc32)cc(Cc2c(O)ccc3ccccc23)c1O
InChIInChI=1S/C69H50O6/c70-63-29-25-41-13-1-5-17-51(41)57(63)37-45-33-49(34-46(67(45)74)38-58-52-18-6-2-14-42(52)26-30-64(58)71)69(61-23-11-9-21-55(61)56-22-10-12-24-62(56)69)50-35-47(39-59-53-19-7-3-15-43(53)27-31-65(59)72)68(75)48(36-50)40-60-54-20-8-4-16-44(54)28-32-66(60)73/h1-36,70-75H,37-40H2
InChIKeyQIGKDBQJDJJLER-UHFFFAOYSA-N
MW975.15 g/mol
LogP15.26
Rot. Bonds10

About 1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol

1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol (PubChem CID 138492957) has the molecular formula C69H50O6 and a molecular weight of 975.15 g/mol. Its IUPAC name is 1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol
PubChem CID138492957
Molecular FormulaC69H50O6
Molecular Weight975.15 g/mol
Exact Mass974.36
IUPAC Name1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Cc1cc(C2(c3cc(Cc4c(O)ccc5ccccc45)c(O)c(Cc4c(O)ccc5ccccc45)c3)c3ccccc3-c3ccccc32)cc(Cc2c(O)ccc3ccccc23)c1O
InChIInChI=1S/C69H50O6/c70-63-29-25-41-13-1-5-17-51(41)57(63)37-45-33-49(34-46(67(45)74)38-58-52-18-6-2-14-42(52)26-30-64(58)71)69(61-23-11-9-21-55(61)56-22-10-12-24-62(56)69)50-35-47(39-59-53-19-7-3-15-43(53)27-31-65(59)72)68(75)48(36-50)40-60-54-20-8-4-16-44(54)28-32-66(60)73/h1-36,70-75H,37-40H2
InChIKeyQIGKDBQJDJJLER-UHFFFAOYSA-N
XLogP15.26
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.15
LogP ≤ 515.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol (CID 138492957) is 1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1Cc1cc(C2(c3cc(Cc4c(O)ccc5ccccc45)c(O)c(Cc4c(O)ccc5ccccc45)c3)c3ccccc3-c3ccccc32)cc(Cc2c(O)ccc3ccccc23)c1O.
What is the InChIKey of 1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol?
The InChIKey is QIGKDBQJDJJLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50O6/c70-63-29-25-41-13-1-5-17-51(41)57(63)37-45-33-49(34-46(67(45)74)38-58-52-18-6-2-14-42(52)26-30-64(58)71)69(61-23-11-9-21-55(61)56-22-10-12-24-62(56)69)50-35-47(39-59-53-19-7-3-15-43(53)27-31-65(59)72)68(75)48(36-50)40-60-54-20-8-4-16-44(54)28-32-66(60)73/h1-36,70-75H,37-40H2.
What are the key properties of 1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol?
1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol has a molecular weight of 975.15 g/mol, XLogP of 15.26, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 138492957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).