4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine

C37H27N3 — CID 167364469

IUPAC4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine
SMILESCc1cc(C)nc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(-c4ccncc4C)cccc32)n1
InChIInChI=1S/C37H27N3/c1-22-21-38-18-17-26(22)28-11-8-14-34-35(28)29-10-5-7-13-32(29)37(34)31-12-6-4-9-27(31)30-20-25(15-16-33(30)37)36-39-23(2)19-24(3)40-36/h4-21H,1-3H3
InChIKeyGNOUDQFEYWPOTN-UHFFFAOYSA-N
MW513.64 g/mol
LogP8.47
Rot. Bonds2

About 4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine

4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine (PubChem CID 167364469) has the molecular formula C37H27N3 and a molecular weight of 513.64 g/mol. Its IUPAC name is 4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine
PubChem CID167364469
Molecular FormulaC37H27N3
Molecular Weight513.64 g/mol
Exact Mass513.22
IUPAC Name4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine
SMILESCc1cc(C)nc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(-c4ccncc4C)cccc32)n1
InChIInChI=1S/C37H27N3/c1-22-21-38-18-17-26(22)28-11-8-14-34-35(28)29-10-5-7-13-32(29)37(34)31-12-6-4-9-27(31)30-20-25(15-16-33(30)37)36-39-23(2)19-24(3)40-36/h4-21H,1-3H3
InChIKeyGNOUDQFEYWPOTN-UHFFFAOYSA-N
XLogP8.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4'-[4-(3-methyl-4-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 167364613
2-[9,9-bis(2-methylphenyl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 139566173
2-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine
CID 134253271
2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine
CID 167364612
2-(4-phenylphenyl)-4-(4-pyridin-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146633327
2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146632404
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146187475
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146632054
2,4-diphenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261102
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 146633320

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine (CID 167364469) is 4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine is Cc1cc(C)nc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(-c4ccncc4C)cccc32)n1.
What is the InChIKey of 4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine?
The InChIKey is GNOUDQFEYWPOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3/c1-22-21-38-18-17-26(22)28-11-8-14-34-35(28)29-10-5-7-13-32(29)37(34)31-12-6-4-9-27(31)30-20-25(15-16-33(30)37)36-39-23(2)19-24(3)40-36/h4-21H,1-3H3.
What are the key properties of 4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine?
4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine has a molecular weight of 513.64 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine is sourced from PubChem (CID 167364469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).