6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine

C34H23NO — CID 134237839

IUPAC6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine
SMILESCC1(C)c2cccc(-c3nc4ccccc4c4ccccc34)c2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C34H23NO/c1-34(2)27-15-9-14-26(32-23-13-4-3-10-20(23)21-11-5-7-16-28(21)35-32)30(27)25-19-18-24-22-12-6-8-17-29(22)36-33(24)31(25)34/h3-19H,1-2H3
InChIKeyMBXAUBZOXRAYGE-UHFFFAOYSA-N
MW461.56 g/mol
LogP9.26
Rot. Bonds1

About 6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine

6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine (PubChem CID 134237839) has the molecular formula C34H23NO and a molecular weight of 461.56 g/mol. Its IUPAC name is 6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine.

Molecular Properties

Compound Name6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine
PubChem CID134237839
Molecular FormulaC34H23NO
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC Name6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine
SMILESCC1(C)c2cccc(-c3nc4ccccc4c4ccccc34)c2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C34H23NO/c1-34(2)27-15-9-14-26(32-23-13-4-3-10-20(23)21-11-5-7-16-28(21)35-32)30(27)25-19-18-24-22-12-6-8-17-29(22)36-33(24)31(25)34/h3-19H,1-2H3
InChIKeyMBXAUBZOXRAYGE-UHFFFAOYSA-N
XLogP9.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-[5-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)pyrazin-2-yl]phenanthridine
CID 130232960
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 130232494
4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline
CID 134217963
23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545802
2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine
CID 167349594
4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline
CID 167232184
17-(9,9-dimethylfluoren-4-yl)-1-methyl-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene
CID 163533691
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381615
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine
CID 142427071
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine
CID 146369062
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine
CID 164929416

Frequently Asked Questions

What is the IUPAC name of 6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine?
The IUPAC name of 6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine (CID 134237839) is 6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine.
What is the SMILES notation for 6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine?
The canonical SMILES for 6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine is CC1(C)c2cccc(-c3nc4ccccc4c4ccccc34)c2-c2ccc3c(oc4ccccc43)c21.
What is the InChIKey of 6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine?
The InChIKey is MBXAUBZOXRAYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NO/c1-34(2)27-15-9-14-26(32-23-13-4-3-10-20(23)21-11-5-7-16-28(21)35-32)30(27)25-19-18-24-22-12-6-8-17-29(22)36-33(24)31(25)34/h3-19H,1-2H3.
What are the key properties of 6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine?
6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine has a molecular weight of 461.56 g/mol, XLogP of 9.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine is sourced from PubChem (CID 134237839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).