2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol

C44H34N2O — CID 136997077

IUPAC2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
SMILESCc1cc(C)c(-c2cc(-c3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3O)c2)c(C)c1
InChIInChI=1S/C44H34N2O/c1-28-23-29(2)43(30(3)24-28)32-26-39(46-40(27-32)36-17-6-9-20-41(36)47)31-13-12-14-33(25-31)44(42-21-10-11-22-45-42)37-18-7-4-15-34(37)35-16-5-8-19-38(35)44/h4-27,47H,1-3H3
InChIKeyVVRODZUHUOANPO-UHFFFAOYSA-N
MW606.77 g/mol
LogP10.47
Rot. Bonds5

About 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol

2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol (PubChem CID 136997077) has the molecular formula C44H34N2O and a molecular weight of 606.77 g/mol. Its IUPAC name is 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
PubChem CID136997077
Molecular FormulaC44H34N2O
Molecular Weight606.77 g/mol
Exact Mass606.27
IUPAC Name2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
SMILESCc1cc(C)c(-c2cc(-c3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3O)c2)c(C)c1
InChIInChI=1S/C44H34N2O/c1-28-23-29(2)43(30(3)24-28)32-26-39(46-40(27-32)36-17-6-9-20-41(36)47)31-13-12-14-33(25-31)44(42-21-10-11-22-45-42)37-18-7-4-15-34(37)35-16-5-8-19-38(35)44/h4-27,47H,1-3H3
InChIKeyVVRODZUHUOANPO-UHFFFAOYSA-N
XLogP10.47
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol with MolForge

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Related Compounds

2-[6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol;2-[9-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-4-(2,4,6-trimethylphenyl)benzo[h]quinolin-2-yl]phenol;2-[6-[3-(9-pyridin-2-ylxanthen-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol;2-[9-(9-pyridin-2-ylxanthen-9-yl)-4-(2,4,6-trimethylphenyl)benzo[h]quinolin-2-yl]phenol
CID 160559506
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
CID 159029308
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158341283
2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine
CID 142384952
platinum;2-[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 153304161
2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol
CID 161415824
4-phenyl-2-[2-(9-phenylfluoren-9-yl)-4-pyridinyl]-6-(3-phenylphenyl)pyridine
CID 142356444
2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 140806096
9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158345600
2-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036
2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline
CID 158403134

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol (CID 136997077) is 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol is Cc1cc(C)c(-c2cc(-c3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3O)c2)c(C)c1.
What is the InChIKey of 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol?
The InChIKey is VVRODZUHUOANPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2O/c1-28-23-29(2)43(30(3)24-28)32-26-39(46-40(27-32)36-17-6-9-20-41(36)47)31-13-12-14-33(25-31)44(42-21-10-11-22-45-42)37-18-7-4-15-34(37)35-16-5-8-19-38(35)44/h4-27,47H,1-3H3.
What are the key properties of 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol?
2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol has a molecular weight of 606.77 g/mol, XLogP of 10.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 136997077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).