7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]

C46H29N3O — CID 145412835

IUPAC7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ncccc4-5)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C46H29N3O/c1-3-12-30(13-4-1)31-21-23-32(24-22-31)40-29-41(49-45(48-40)33-14-5-2-6-15-33)34-25-26-35-36-16-11-27-47-44(36)46(39(35)28-34)37-17-7-9-19-42(37)50-43-20-10-8-18-38(43)46/h1-29H
InChIKeyVSZPRZCPQHJPOZ-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.01
Rot. Bonds4

About 7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]

7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene] (PubChem CID 145412835) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene].

Molecular Properties

Compound Name7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]
PubChem CID145412835
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ncccc4-5)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C46H29N3O/c1-3-12-30(13-4-1)31-21-23-32(24-22-31)40-29-41(49-45(48-40)33-14-5-2-6-15-33)34-25-26-35-36-16-11-27-47-44(36)46(39(35)28-34)37-17-7-9-19-42(37)50-43-20-10-8-18-38(43)46/h1-29H
InChIKeyVSZPRZCPQHJPOZ-UHFFFAOYSA-N
XLogP11.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
4,6-diphenyl-2-[4-[7-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]pyrimidine
CID 167177967
8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 146547799
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 164954461
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047

Frequently Asked Questions

What is the IUPAC name of 7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]?
The IUPAC name of 7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene] (CID 145412835) is 7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene].
What is the SMILES notation for 7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]?
The canonical SMILES for 7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene] is c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ncccc4-5)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]?
The InChIKey is VSZPRZCPQHJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-3-12-30(13-4-1)31-21-23-32(24-22-31)40-29-41(49-45(48-40)33-14-5-2-6-15-33)34-25-26-35-36-16-11-27-47-44(36)46(39(35)28-34)37-17-7-9-19-42(37)50-43-20-10-8-18-38(43)46/h1-29H.
What are the key properties of 7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]?
7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene] has a molecular weight of 639.76 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene] is sourced from PubChem (CID 145412835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).