5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C45H27N3O — CID 118614768

IUPAC5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4Oc4ccccc43)c3ccccc3-5)nc3cccnc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-28(14-3-1)31-26-43(47-38-20-12-24-46-44(31)38)48-39-21-9-5-16-30(39)33-25-32-29-15-4-6-17-34(29)45(37(32)27-40(33)48)35-18-7-10-22-41(35)49-42-23-11-8-19-36(42)45/h1-27H
InChIKeyQMLXPKLGESQLSJ-UHFFFAOYSA-N
MW625.73 g/mol
LogP10.86
Rot. Bonds2

About 5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 118614768) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID118614768
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4Oc4ccccc43)c3ccccc3-5)nc3cccnc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-28(14-3-1)31-26-43(47-38-20-12-24-46-44(31)38)48-39-21-9-5-16-30(39)33-25-32-29-15-4-6-17-34(29)45(37(32)27-40(33)48)35-18-7-10-22-41(35)49-42-23-11-8-19-36(42)45/h1-27H
InChIKeyQMLXPKLGESQLSJ-UHFFFAOYSA-N
XLogP10.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 118614768) is 5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4Oc4ccccc43)c3ccccc3-5)nc3cccnc23)cc1.
What is the InChIKey of 5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is QMLXPKLGESQLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-13-28(14-3-1)31-26-43(47-38-20-12-24-46-44(31)38)48-39-21-9-5-16-30(39)33-25-32-29-15-4-6-17-34(29)45(37(32)27-40(33)48)35-18-7-10-22-41(35)49-42-23-11-8-19-36(42)45/h1-27H.
What are the key properties of 5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 625.73 g/mol, XLogP of 10.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenyl-1,5-naphthyridin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 118614768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).