5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C52H32N4O — CID 118614745

IUPAC5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cc4c5ccccc5n(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4cc32)cc1
InChIInChI=1S/C52H32N4O/c1-2-14-33(15-3-1)34-24-25-51-43(28-34)52(41-19-7-9-23-50(41)57-51)40-18-6-4-16-36(40)38-31-39-37-17-5-8-22-48(37)56(49(39)32-42(38)52)35-29-46(44-20-10-12-26-53-44)55-47(30-35)45-21-11-13-27-54-45/h1-32H
InChIKeyXLPHIJPQIJLCHN-UHFFFAOYSA-N
MW728.86 g/mol
LogP12.44
Rot. Bonds4

About 5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]

5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 118614745) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID118614745
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cc4c5ccccc5n(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4cc32)cc1
InChIInChI=1S/C52H32N4O/c1-2-14-33(15-3-1)34-24-25-51-43(28-34)52(41-19-7-9-23-50(41)57-51)40-18-6-4-16-36(40)38-31-39-37-17-5-8-22-48(37)56(49(39)32-42(38)52)35-29-46(44-20-10-12-26-53-44)55-47(30-35)45-21-11-13-27-54-45/h1-32H
InChIKeyXLPHIJPQIJLCHN-UHFFFAOYSA-N
XLogP12.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 118614745) is 5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cc4c5ccccc5n(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4cc32)cc1.
What is the InChIKey of 5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is XLPHIJPQIJLCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-2-14-33(15-3-1)34-24-25-51-43(28-34)52(41-19-7-9-23-50(41)57-51)40-18-6-4-16-36(40)38-31-39-37-17-5-8-22-48(37)56(49(39)32-42(38)52)35-29-46(44-20-10-12-26-53-44)55-47(30-35)45-21-11-13-27-54-45/h1-32H.
What are the key properties of 5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 728.86 g/mol, XLogP of 12.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dipyridin-2-yl-4-pyridinyl)-2'-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 118614745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).