12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole

C43H29N3O — CID 130334407

IUPAC12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c21
InChIInChI=1S/C43H29N3O/c1-43(2)32-20-10-6-17-29(32)39-38(43)40(45-42(44-39)26-14-4-3-5-15-26)30-18-8-12-22-34(30)46-33-21-11-7-16-27(33)28-24-25-36-37(41(28)46)31-19-9-13-23-35(31)47-36/h3-25H,1-2H3
InChIKeyQWSQNBUQFUSZLO-UHFFFAOYSA-N
MW603.73 g/mol
LogP11.11
Rot. Bonds3

About 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole

12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 130334407) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID130334407
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c21
InChIInChI=1S/C43H29N3O/c1-43(2)32-20-10-6-17-29(32)39-38(43)40(45-42(44-39)26-14-4-3-5-15-26)30-18-8-12-22-34(30)46-33-21-11-7-16-27(33)28-24-25-36-37(41(28)46)31-19-9-13-23-35(31)47-36/h3-25H,1-2H3
InChIKeyQWSQNBUQFUSZLO-UHFFFAOYSA-N
XLogP11.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole with MolForge

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Related Compounds

11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 130334516
2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333494
12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 130334090
12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164953799
5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 130334038
12-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164932814
4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130334302
12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 146761337
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 130333574
12-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 130333810
15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18,20,22,26-dodecaene
CID 142415987

Frequently Asked Questions

What is the IUPAC name of 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (CID 130334407) is 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c21.
What is the InChIKey of 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is QWSQNBUQFUSZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-43(2)32-20-10-6-17-29(32)39-38(43)40(45-42(44-39)26-14-4-3-5-15-26)30-18-8-12-22-34(30)46-33-21-11-7-16-27(33)28-24-25-36-37(41(28)46)31-19-9-13-23-35(31)47-36/h3-25H,1-2H3.
What are the key properties of 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 603.73 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 130334407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).