2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine

C44H40N4 — CID 170514538

IUPAC2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine
SMILESCc1cc(C)c(-c2ccnc(C3(c4cccc(C5NC=CN5c5c(C)cc(C)cc5C)n4)c4ccccc4-c4ccccc43)c2)c(C)c1
InChIInChI=1S/C44H40N4/c1-27-22-29(3)41(30(4)23-27)33-18-19-45-40(26-33)44(36-14-9-7-12-34(36)35-13-8-10-15-37(35)44)39-17-11-16-38(47-39)43-46-20-21-48(43)42-31(5)24-28(2)25-32(42)6/h7-26,43,46H,1-6H3
InChIKeyDYKLIDQLGZRWLM-UHFFFAOYSA-N
MW624.83 g/mol
LogP9.94
Rot. Bonds5

About 2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine

2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine (PubChem CID 170514538) has the molecular formula C44H40N4 and a molecular weight of 624.83 g/mol. Its IUPAC name is 2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine
PubChem CID170514538
Molecular FormulaC44H40N4
Molecular Weight624.83 g/mol
Exact Mass624.33
IUPAC Name2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine
SMILESCc1cc(C)c(-c2ccnc(C3(c4cccc(C5NC=CN5c5c(C)cc(C)cc5C)n4)c4ccccc4-c4ccccc43)c2)c(C)c1
InChIInChI=1S/C44H40N4/c1-27-22-29(3)41(30(4)23-27)33-18-19-45-40(26-33)44(36-14-9-7-12-34(36)35-13-8-10-15-37(35)44)39-17-11-16-38(47-39)43-46-20-21-48(43)42-31(5)24-28(2)25-32(42)6/h7-26,43,46H,1-6H3
InChIKeyDYKLIDQLGZRWLM-UHFFFAOYSA-N
XLogP9.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 59.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 136997077
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
CID 159029308
1',3'-dimethyl-9,9'-spirobi[fluorene]
CID 169054935
9,9-dimethyl-2-(2,4,6-trimethylphenyl)fluorene
CID 176635457
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
4-phenyl-2-[2-(9-phenylfluoren-9-yl)-4-pyridinyl]-6-(3-phenylphenyl)pyridine
CID 142356444
1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole
CID 176643524
4-(2,6-dimethylphenyl)-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
CID 176592381
9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine
CID 123742097
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158341283
2-bromo-6-[14-(6-bromo-2-pyridinyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl]pyridine
CID 89409708
4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine
CID 140733756

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine?
The IUPAC name of 2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine (CID 170514538) is 2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine.
What is the SMILES notation for 2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine?
The canonical SMILES for 2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine is Cc1cc(C)c(-c2ccnc(C3(c4cccc(C5NC=CN5c5c(C)cc(C)cc5C)n4)c4ccccc4-c4ccccc43)c2)c(C)c1.
What is the InChIKey of 2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine?
The InChIKey is DYKLIDQLGZRWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N4/c1-27-22-29(3)41(30(4)23-27)33-18-19-45-40(26-33)44(36-14-9-7-12-34(36)35-13-8-10-15-37(35)44)39-17-11-16-38(47-39)43-46-20-21-48(43)42-31(5)24-28(2)25-32(42)6/h7-26,43,46H,1-6H3.
What are the key properties of 2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine?
2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine has a molecular weight of 624.83 g/mol, XLogP of 9.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 170514538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).