bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine

C62H48N2O4 — CID 139145668

IUPACbis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine
SMILESOc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.c1cc(CCc2ccncc2)ccn1
InChIInChI=1S/2C25H18O2.C12H12N2/c2*26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h2*1-16,26-27H;3-10H,1-2H2
InChIKeyLXBFKGKLVADNRU-UHFFFAOYSA-N
MW885.08 g/mol
LogP13.18
Rot. Bonds7

About bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine

bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine (PubChem CID 139145668) has the molecular formula C62H48N2O4 and a molecular weight of 885.08 g/mol. Its IUPAC name is bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine.

Molecular Properties

Compound Namebis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine
PubChem CID139145668
Molecular FormulaC62H48N2O4
Molecular Weight885.08 g/mol
Exact Mass884.36
IUPAC Namebis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine
SMILESOc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.c1cc(CCc2ccncc2)ccn1
InChIInChI=1S/2C25H18O2.C12H12N2/c2*26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h2*1-16,26-27H;3-10H,1-2H2
InChIKeyLXBFKGKLVADNRU-UHFFFAOYSA-N
XLogP13.18
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.08
LogP ≤ 513.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine?
The IUPAC name of bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine (CID 139145668) is bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine.
What is the SMILES notation for bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine?
The canonical SMILES for bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine is Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.c1cc(CCc2ccncc2)ccn1.
What is the InChIKey of bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine?
The InChIKey is LXBFKGKLVADNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18O2.C12H12N2/c2*26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h2*1-16,26-27H;3-10H,1-2H2.
What are the key properties of bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine?
bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine has a molecular weight of 885.08 g/mol, XLogP of 13.18, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol);4-(2-pyridin-4-ylethyl)pyridine is sourced from PubChem (CID 139145668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).