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4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine

C48H42N2O — CID 159029308

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
SMILESCc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1
InChIInChI=1S/C48H42N2O/c1-31-24-32(2)46(33(3)25-31)35-26-34(44-30-36(21-23-49-44)47(4,5)6)27-39(28-35)51-38-15-13-14-37(29-38)48(45-20-11-12-22-50-45)42-18-9-7-16-40(42)41-17-8-10-19-43(41)48/h7-30H,1-6H3
InChIKeyTZUXJDVRFZPTPL-UHFFFAOYSA-N
MW662.88 g/mol
LogP12.19
Rot. Bonds6

About 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine

4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine (PubChem CID 159029308) has the molecular formula C48H42N2O and a molecular weight of 662.88 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
PubChem CID159029308
Molecular FormulaC48H42N2O
Molecular Weight662.88 g/mol
Exact Mass662.33
IUPAC Name4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
SMILESCc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1
InChIInChI=1S/C48H42N2O/c1-31-24-32(2)46(33(3)25-31)35-26-34(44-30-36(21-23-49-44)47(4,5)6)27-39(28-35)51-38-15-13-14-37(29-38)48(45-20-11-12-22-50-45)42-18-9-7-16-40(42)41-17-8-10-19-43(41)48/h7-30H,1-6H3
InChIKeyTZUXJDVRFZPTPL-UHFFFAOYSA-N
XLogP12.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.88
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine?
The IUPAC name of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine (CID 159029308) is 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine is Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.
What is the InChIKey of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine?
The InChIKey is TZUXJDVRFZPTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2O/c1-31-24-32(2)46(33(3)25-31)35-26-34(44-30-36(21-23-49-44)47(4,5)6)27-39(28-35)51-38-15-13-14-37(29-38)48(45-20-11-12-22-50-45)42-18-9-7-16-40(42)41-17-8-10-19-43(41)48/h7-30H,1-6H3.
What are the key properties of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine?
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine has a molecular weight of 662.88 g/mol, XLogP of 12.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine is sourced from PubChem (CID 159029308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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