2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine

C46H31N3O — CID 130379549

IUPAC2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
SMILESC1=C(c2ccccc2-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)NC(c2ccccc2)=NC1c1ccccn1
InChIInChI=1S/C46H31N3O/c1-2-15-30(16-3-1)45-48-41(29-42(49-45)40-26-12-13-28-47-40)34-20-5-4-17-31(34)35-21-14-25-39-44(35)50-43-27-11-10-24-38(43)46(39)36-22-8-6-18-32(36)33-19-7-9-23-37(33)46/h1-29,42H,(H,48,49)
InChIKeyRTIGJXZMDORCML-UHFFFAOYSA-N
MW641.77 g/mol
LogP10.35
Rot. Bonds4

About 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine

2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine (PubChem CID 130379549) has the molecular formula C46H31N3O and a molecular weight of 641.77 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
PubChem CID130379549
Molecular FormulaC46H31N3O
Molecular Weight641.77 g/mol
Exact Mass641.25
IUPAC Name2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
SMILESC1=C(c2ccccc2-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)NC(c2ccccc2)=NC1c1ccccn1
InChIInChI=1S/C46H31N3O/c1-2-15-30(16-3-1)45-48-41(29-42(49-45)40-26-12-13-28-47-40)34-20-5-4-17-31(34)35-21-14-25-39-44(35)50-43-27-11-10-24-38(43)46(39)36-22-8-6-18-32(36)33-19-7-9-23-37(33)46/h1-29,42H,(H,48,49)
InChIKeyRTIGJXZMDORCML-UHFFFAOYSA-N
XLogP10.35
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-6-pyridin-2-yl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 130379889
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 146322023
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 137389231
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388366
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947317
CID 146184516
CID 146184516
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388368
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388774

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine (CID 130379549) is 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine is C1=C(c2ccccc2-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)NC(c2ccccc2)=NC1c1ccccn1.
What is the InChIKey of 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine?
The InChIKey is RTIGJXZMDORCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O/c1-2-15-30(16-3-1)45-48-41(29-42(49-45)40-26-12-13-28-47-40)34-20-5-4-17-31(34)35-21-14-25-39-44(35)50-43-27-11-10-24-38(43)46(39)36-22-8-6-18-32(36)33-19-7-9-23-37(33)46/h1-29,42H,(H,48,49).
What are the key properties of 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine?
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine has a molecular weight of 641.77 g/mol, XLogP of 10.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 130379549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).