2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine

C35H22N2O2 — CID 118698448

IUPAC2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccnc4)ccc32)nc1
InChIInChI=1S/C35H22N2O2/c1-3-12-31-26(9-1)35(28-16-14-23(20-33(28)38-31)25-8-7-18-36-22-25)27-10-2-4-13-32(27)39-34-21-24(15-17-29(34)35)30-11-5-6-19-37-30/h1-22H
InChIKeyUHODTQCJYUCKFS-UHFFFAOYSA-N
MW502.57 g/mol
LogP8.40
Rot. Bonds2

About 2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine

2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine (PubChem CID 118698448) has the molecular formula C35H22N2O2 and a molecular weight of 502.57 g/mol. Its IUPAC name is 2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine.

Molecular Properties

Compound Name2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine
PubChem CID118698448
Molecular FormulaC35H22N2O2
Molecular Weight502.57 g/mol
Exact Mass502.17
IUPAC Name2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccnc4)ccc32)nc1
InChIInChI=1S/C35H22N2O2/c1-3-12-31-26(9-1)35(28-16-14-23(20-33(28)38-31)25-8-7-18-36-22-25)27-10-2-4-13-32(27)39-34-21-24(15-17-29(34)35)30-11-5-6-19-37-30/h1-22H
InChIKeyUHODTQCJYUCKFS-UHFFFAOYSA-N
XLogP8.40
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline
CID 118861045
9-[3-(3-phenylphenyl)-9,9'-spirobi[xanthene]-3'-yl]carbazole;9-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole;9-[3-(3-pyridin-3-ylphenyl)-9,9'-spirobi[xanthene]-3'-yl]carbazole;9-[3-(2-pyridin-3-yl-4-pyridinyl)-9,9'-spirobi[xanthene]-3'-yl]carbazole;9-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)carbazole;9-(3-pyridin-4-yl-9,9'-spirobi[xanthene]-3'-yl)carbazole;9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole;9-(3-pyrimidin-2-yl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 158756691
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
CID 167178504
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 167178462
2,4-diphenyl-6-[3-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,3,5-triazine
CID 164793285
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole
CID 118698518
5-[3-(2-pyridin-3-yl-4-pyridinyl)-9,9'-spirobi[xanthene]-3'-yl]pyrido[4,3-b]indole
CID 118698530
2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571377
9-[3-(3-pyridin-3-ylphenyl)-9,9'-spirobi[xanthene]-3'-yl]pyrido[3,4-b]indole
CID 118698541

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine?
The IUPAC name of 2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine (CID 118698448) is 2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine.
What is the SMILES notation for 2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine?
The canonical SMILES for 2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine is c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccnc4)ccc32)nc1.
What is the InChIKey of 2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine?
The InChIKey is UHODTQCJYUCKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2O2/c1-3-12-31-26(9-1)35(28-16-14-23(20-33(28)38-31)25-8-7-18-36-22-25)27-10-2-4-13-32(27)39-34-21-24(15-17-29(34)35)30-11-5-6-19-37-30/h1-22H.
What are the key properties of 2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine?
2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine has a molecular weight of 502.57 g/mol, XLogP of 8.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine is sourced from PubChem (CID 118698448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).