2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C41H30N4 — CID 155765194

IUPAC2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1cccnc1
InChIInChI=1S/C41H30N4/c1-41(2)34-21-10-9-20-33(34)37-35(41)23-22-32(36(37)31-19-12-24-42-26-31)29-17-11-18-30(25-29)40-44-38(27-13-5-3-6-14-27)43-39(45-40)28-15-7-4-8-16-28/h3-26H,1-2H3
InChIKeyLOUDQUNJSIJVBT-UHFFFAOYSA-N
MW578.72 g/mol
LogP9.91
Rot. Bonds5

About 2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155765194) has the molecular formula C41H30N4 and a molecular weight of 578.72 g/mol. Its IUPAC name is 2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID155765194
Molecular FormulaC41H30N4
Molecular Weight578.72 g/mol
Exact Mass578.25
IUPAC Name2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1cccnc1
InChIInChI=1S/C41H30N4/c1-41(2)34-21-10-9-20-33(34)37-35(41)23-22-32(36(37)31-19-12-24-42-26-31)29-17-11-18-30(25-29)40-44-38(27-13-5-3-6-14-27)43-39(45-40)28-15-7-4-8-16-28/h3-26H,1-2H3
InChIKeyLOUDQUNJSIJVBT-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765149
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632776
4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632410
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523
4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 155765199
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584348
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171585653
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2-(22,22-dimethyl-10-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8(13),9,11,15(23),16,18,20,24-dodecaenyl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 164832647
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171582874

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 155765194) is 2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1cccnc1.
What is the InChIKey of 2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LOUDQUNJSIJVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4/c1-41(2)34-21-10-9-20-33(34)37-35(41)23-22-32(36(37)31-19-12-24-42-26-31)29-17-11-18-30(25-29)40-44-38(27-13-5-3-6-14-27)43-39(45-40)28-15-7-4-8-16-28/h3-26H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 578.72 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155765194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).