2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine

C43H29N3O — CID 134218172

IUPAC2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)-c1ccc(-c2nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n2)cc1C3
InChIInChI=1S/C43H29N3O/c1-43(2)34-16-8-6-13-30(34)31-22-19-26-23-28-24-27(20-21-29(28)37(26)39(31)43)41-44-40(25-11-4-3-5-12-25)45-42(46-41)33-15-10-18-36-38(33)32-14-7-9-17-35(32)47-36/h3-22,24H,23H2,1-2H3
InChIKeyVLNOKHQORGCZCX-UHFFFAOYSA-N
MW603.73 g/mol
LogP10.65
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine (PubChem CID 134218172) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine
PubChem CID134218172
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)-c1ccc(-c2nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n2)cc1C3
InChIInChI=1S/C43H29N3O/c1-43(2)34-16-8-6-13-30(34)31-22-19-26-23-28-24-27(20-21-29(28)37(26)39(31)43)41-44-40(25-11-4-3-5-12-25)45-42(46-41)33-15-10-18-36-38(33)32-14-7-9-17-35(32)47-36/h3-22,24H,23H2,1-2H3
InChIKeyVLNOKHQORGCZCX-UHFFFAOYSA-N
XLogP10.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine
CID 134218171
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-dibenzofuran-1-yl-4-(24,24-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164721850
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369077
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)-1,3,5-triazine
CID 163495186
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369552
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820
2-dibenzofuran-1-yl-4-[4-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 177079301

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine (CID 134218172) is 2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc3c(c21)-c1ccc(-c2nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n2)cc1C3.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is VLNOKHQORGCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-43(2)34-16-8-6-13-30(34)31-22-19-26-23-28-24-27(20-21-29(28)37(26)39(31)43)41-44-40(25-11-4-3-5-12-25)45-42(46-41)33-15-10-18-36-38(33)32-14-7-9-17-35(32)47-36/h3-22,24H,23H2,1-2H3.
What are the key properties of 2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 603.73 g/mol, XLogP of 10.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134218172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).