12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole

C37H24N2O — CID 144930867

IUPAC12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole
SMILESCc1ccc2oc3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3c2c1
InChIInChI=1S/C37H24N2O/c1-23-15-19-34-29(21-23)30-22-25(16-20-35(30)40-34)39-31-13-7-5-11-26(31)27-17-18-33-36(37(27)39)28-12-6-8-14-32(28)38(33)24-9-3-2-4-10-24/h2-22H,1H3
InChIKeyRIPDTAXTTIGUEH-UHFFFAOYSA-N
MW512.61 g/mol
LogP10.09
Rot. Bonds2

About 12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole

12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 144930867) has the molecular formula C37H24N2O and a molecular weight of 512.61 g/mol. Its IUPAC name is 12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole
PubChem CID144930867
Molecular FormulaC37H24N2O
Molecular Weight512.61 g/mol
Exact Mass512.19
IUPAC Name12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole
SMILESCc1ccc2oc3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3c2c1
InChIInChI=1S/C37H24N2O/c1-23-15-19-34-29(21-23)30-22-25(16-20-35(30)40-34)39-31-13-7-5-11-26(31)27-17-18-33-36(37(27)39)28-12-6-8-14-32(28)38(33)24-9-3-2-4-10-24/h2-22H,1H3
InChIKeyRIPDTAXTTIGUEH-UHFFFAOYSA-N
XLogP10.09
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole (CID 144930867) is 12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole is Cc1ccc2oc3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3c2c1.
What is the InChIKey of 12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole?
The InChIKey is RIPDTAXTTIGUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O/c1-23-15-19-34-29(21-23)30-22-25(16-20-35(30)40-34)39-31-13-7-5-11-26(31)27-17-18-33-36(37(27)39)28-12-6-8-14-32(28)38(33)24-9-3-2-4-10-24/h2-22H,1H3.
What are the key properties of 12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole?
12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole has a molecular weight of 512.61 g/mol, XLogP of 10.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 144930867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).