4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol

C66H42O3 — CID 167227198

IUPAC4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol
SMILESOc1ccc(/C=C2\c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)/C(=C/c5ccc(O)cc5)c5ccccc5-6)cc(-c5ccc6c(c5)/C(=C/c5ccc(O)cc5)c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/C66H42O3/c67-49-22-13-40(14-23-49)31-61-55-10-4-1-7-52(55)58-28-19-43(37-64(58)61)46-34-47(44-20-29-59-53-8-2-5-11-56(53)62(65(59)38-44)32-41-15-24-50(68)25-16-41)36-48(35-46)45-21-30-60-54-9-3-6-12-57(54)63(66(60)39-45)33-42-17-26-51(69)27-18-42/h1-39,67-69H/b61-31+,62-32+,63-33+
InChIKeyLQWFEAZWEVIKMT-IOJMKYDSSA-N
MW883.06 g/mol
LogP16.51
Rot. Bonds6

About 4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol

4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol (PubChem CID 167227198) has the molecular formula C66H42O3 and a molecular weight of 883.06 g/mol. Its IUPAC name is 4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol
PubChem CID167227198
Molecular FormulaC66H42O3
Molecular Weight883.06 g/mol
Exact Mass882.31
IUPAC Name4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol
SMILESOc1ccc(/C=C2\c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)/C(=C/c5ccc(O)cc5)c5ccccc5-6)cc(-c5ccc6c(c5)/C(=C/c5ccc(O)cc5)c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/C66H42O3/c67-49-22-13-40(14-23-49)31-61-55-10-4-1-7-52(55)58-28-19-43(37-64(58)61)46-34-47(44-20-29-59-53-8-2-5-11-56(53)62(65(59)38-44)32-41-15-24-50(68)25-16-41)36-48(35-46)45-21-30-60-54-9-3-6-12-57(54)63(66(60)39-45)33-42-17-26-51(69)27-18-42/h1-39,67-69H/b61-31+,62-32+,63-33+
InChIKeyLQWFEAZWEVIKMT-IOJMKYDSSA-N
XLogP16.51
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.06
LogP ≤ 516.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol (CID 167227198) is 4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol is Oc1ccc(/C=C2\c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)/C(=C/c5ccc(O)cc5)c5ccccc5-6)cc(-c5ccc6c(c5)/C(=C/c5ccc(O)cc5)c5ccccc5-6)c4)cc32)cc1.
What is the InChIKey of 4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol?
The InChIKey is LQWFEAZWEVIKMT-IOJMKYDSSA-N. The full InChI is InChI=1S/C66H42O3/c67-49-22-13-40(14-23-49)31-61-55-10-4-1-7-52(55)58-28-19-43(37-64(58)61)46-34-47(44-20-29-59-53-8-2-5-11-56(53)62(65(59)38-44)32-41-15-24-50(68)25-16-41)36-48(35-46)45-21-30-60-54-9-3-6-12-57(54)63(66(60)39-45)33-42-17-26-51(69)27-18-42/h1-39,67-69H/b61-31+,62-32+,63-33+.
What are the key properties of 4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol?
4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol has a molecular weight of 883.06 g/mol, XLogP of 16.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[2-[3,5-bis[(9E)-9-[(4-hydroxyphenyl)methylidene]fluoren-2-yl]phenyl]fluoren-9-ylidene]methyl]phenol is sourced from PubChem (CID 167227198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).