9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole

C41H25N3O2 — CID 118698518

IUPAC9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-n4c5ccccc5c5cccnc54)ccc32)nc1
InChIInChI=1S/C41H25N3O2/c1-4-15-35-28(10-1)29-11-9-23-43-40(29)44(35)27-19-21-33-39(25-27)46-37-17-6-3-13-31(37)41(33)30-12-2-5-16-36(30)45-38-24-26(18-20-32(38)41)34-14-7-8-22-42-34/h1-25H
InChIKeyFPQURKMFOXDMJE-UHFFFAOYSA-N
MW591.67 g/mol
LogP9.83
Rot. Bonds2

About 9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole

9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole (PubChem CID 118698518) has the molecular formula C41H25N3O2 and a molecular weight of 591.67 g/mol. Its IUPAC name is 9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole
PubChem CID118698518
Molecular FormulaC41H25N3O2
Molecular Weight591.67 g/mol
Exact Mass591.19
IUPAC Name9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-n4c5ccccc5c5cccnc54)ccc32)nc1
InChIInChI=1S/C41H25N3O2/c1-4-15-35-28(10-1)29-11-9-23-43-40(29)44(35)27-19-21-33-39(25-27)46-37-17-6-3-13-31(37)41(33)30-12-2-5-16-36(30)45-38-24-26(18-20-32(38)41)34-14-7-8-22-42-34/h1-25H
InChIKeyFPQURKMFOXDMJE-UHFFFAOYSA-N
XLogP9.83
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-(3-pyrimidin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[4,3-b]indole
CID 118698533
5-[3-(2-pyridin-3-yl-4-pyridinyl)-9,9'-spirobi[xanthene]-3'-yl]pyrido[4,3-b]indole
CID 118698530
3'-carbazol-9-yl-5-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656046
2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine
CID 118698448
2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654397
9-[3-(3-pyridin-3-ylphenyl)-9,9'-spirobi[xanthene]-3'-yl]pyrido[3,4-b]indole
CID 118698541
3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655805
14-phenyl-3'-pyrido[2,3-b]indol-9-ylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide
CID 164736527
3'-carbazol-9-yl-6'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655393
1',6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655287
5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654531

Frequently Asked Questions

What is the IUPAC name of 9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole (CID 118698518) is 9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole is c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-n4c5ccccc5c5cccnc54)ccc32)nc1.
What is the InChIKey of 9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole?
The InChIKey is FPQURKMFOXDMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O2/c1-4-15-35-28(10-1)29-11-9-23-43-40(29)44(35)27-19-21-33-39(25-27)46-37-17-6-3-13-31(37)41(33)30-12-2-5-16-36(30)45-38-24-26(18-20-32(38)41)34-14-7-8-22-42-34/h1-25H.
What are the key properties of 9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole?
9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole has a molecular weight of 591.67 g/mol, XLogP of 9.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 118698518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).