3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine

C38H32N4 — CID 59649089

IUPAC3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine
SMILESCC1(C)c2cc(-c3cccnc3)c(-c3cccnc3)cc2C(C)(C)c2cc(-c3cccnc3)c(-c3cccnc3)cc21
InChIInChI=1S/C38H32N4/c1-37(2)33-17-29(25-9-5-13-39-21-25)31(27-11-7-15-41-23-27)19-35(33)38(3,4)36-20-32(28-12-8-16-42-24-28)30(18-34(36)37)26-10-6-14-40-22-26/h5-24H,1-4H3
InChIKeyMMVASMRACXYRHJ-UHFFFAOYSA-N
MW544.70 g/mol
LogP8.90
Rot. Bonds4

About 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine

3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine (PubChem CID 59649089) has the molecular formula C38H32N4 and a molecular weight of 544.70 g/mol. Its IUPAC name is 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine.

Molecular Properties

Compound Name3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine
PubChem CID59649089
Molecular FormulaC38H32N4
Molecular Weight544.70 g/mol
Exact Mass544.26
IUPAC Name3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine
SMILESCC1(C)c2cc(-c3cccnc3)c(-c3cccnc3)cc2C(C)(C)c2cc(-c3cccnc3)c(-c3cccnc3)cc21
InChIInChI=1S/C38H32N4/c1-37(2)33-17-29(25-9-5-13-39-21-25)31(27-11-7-15-41-23-27)19-35(33)38(3,4)36-20-32(28-12-8-16-42-24-28)30(18-34(36)37)26-10-6-14-40-22-26/h5-24H,1-4H3
InChIKeyMMVASMRACXYRHJ-UHFFFAOYSA-N
XLogP8.90
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
2,4-dipyridin-3-ylaniline
CID 46316358
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine
CID 169262127
2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine
CID 126543598
4-methoxy-2-pyridin-3-ylaniline
CID 71445761
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one
CID 86581203
3-(2-methylphenyl)pyridine
CID 4133191

Frequently Asked Questions

What is the IUPAC name of 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine?
The IUPAC name of 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine (CID 59649089) is 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine.
What is the SMILES notation for 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine?
The canonical SMILES for 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine is CC1(C)c2cc(-c3cccnc3)c(-c3cccnc3)cc2C(C)(C)c2cc(-c3cccnc3)c(-c3cccnc3)cc21.
What is the InChIKey of 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine?
The InChIKey is MMVASMRACXYRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4/c1-37(2)33-17-29(25-9-5-13-39-21-25)31(27-11-7-15-41-23-27)19-35(33)38(3,4)36-20-32(28-12-8-16-42-24-28)30(18-34(36)37)26-10-6-14-40-22-26/h5-24H,1-4H3.
What are the key properties of 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine?
3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine has a molecular weight of 544.70 g/mol, XLogP of 8.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine is sourced from PubChem (CID 59649089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).