7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole

C37H25N3O — CID 130333620

IUPAC7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc21
InChIInChI=1S/C37H25N3O/c1-37(2)28-17-9-6-16-25(28)33-34(22-12-4-3-5-13-22)38-36(39-35(33)37)40-29-18-10-7-14-23(29)26-20-27-24-15-8-11-19-31(24)41-32(27)21-30(26)40/h3-21H,1-2H3
InChIKeyMHDGQXLXBQDJCE-UHFFFAOYSA-N
MW527.63 g/mol
LogP9.45
Rot. Bonds2

About 7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole

7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 130333620) has the molecular formula C37H25N3O and a molecular weight of 527.63 g/mol. Its IUPAC name is 7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID130333620
Molecular FormulaC37H25N3O
Molecular Weight527.63 g/mol
Exact Mass527.20
IUPAC Name7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc21
InChIInChI=1S/C37H25N3O/c1-37(2)28-17-9-6-16-25(28)33-34(22-12-4-3-5-13-22)38-36(39-35(33)37)40-29-18-10-7-14-23(29)26-20-27-24-15-8-11-19-31(24)41-32(27)21-30(26)40/h3-21H,1-2H3
InChIKeyMHDGQXLXBQDJCE-UHFFFAOYSA-N
XLogP9.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 130333574
5-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 130333673
7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 130333880
5-[9,9-dimethyl-4-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole
CID 146392109
5-[4-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 130334179
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 130333882
15-phenyl-19-(4-phenylquinazolin-2-yl)-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129142011
5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole
CID 146391671
14-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130333723
5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole
CID 146540586
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 130333620) is 7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc21.
What is the InChIKey of 7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is MHDGQXLXBQDJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3O/c1-37(2)28-17-9-6-16-25(28)33-34(22-12-4-3-5-13-22)38-36(39-35(33)37)40-29-18-10-7-14-23(29)26-20-27-24-15-8-11-19-31(24)41-32(27)21-30(26)40/h3-21H,1-2H3.
What are the key properties of 7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 527.63 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 130333620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).