2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine

C47H30N2 — CID 121450582

IUPAC2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H30N2/c1-3-14-31(15-4-1)44-30-45(49-46(48-44)32-16-5-2-6-17-32)35-19-13-18-33(28-35)34-26-27-39-38-22-9-12-25-42(38)47(43(39)29-34)40-23-10-7-20-36(40)37-21-8-11-24-41(37)47/h1-30H
InChIKeyOABSSTCHGCWNTP-UHFFFAOYSA-N
MW622.77 g/mol
LogP11.49
Rot. Bonds4

About 2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine

2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine (PubChem CID 121450582) has the molecular formula C47H30N2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
PubChem CID121450582
Molecular FormulaC47H30N2
Molecular Weight622.77 g/mol
Exact Mass622.24
IUPAC Name2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H30N2/c1-3-14-31(15-4-1)44-30-45(49-46(48-44)32-16-5-2-6-17-32)35-19-13-18-33(28-35)34-26-27-39-38-22-9-12-25-42(38)47(43(39)29-34)40-23-10-7-20-36(40)37-21-8-11-24-41(37)47/h1-30H
InChIKeyOABSSTCHGCWNTP-UHFFFAOYSA-N
XLogP11.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-6-(3-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)pyrimidine
CID 155123113
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
4-phenyl-2-[4-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 88557841
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine
CID 146632584
2,4-diphenyl-6-[3-[4-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
CID 139400593
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943557
7'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162775697
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine (CID 121450582) is 2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine?
The InChIKey is OABSSTCHGCWNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2/c1-3-14-31(15-4-1)44-30-45(49-46(48-44)32-16-5-2-6-17-32)35-19-13-18-33(28-35)34-26-27-39-38-22-9-12-25-42(38)47(43(39)29-34)40-23-10-7-20-36(40)37-21-8-11-24-41(37)47/h1-30H.
What are the key properties of 2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine?
2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine has a molecular weight of 622.77 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 121450582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).