2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine

C44H31N3 — CID 134218216

IUPAC2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(c(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)-c5ccccc5C6)n4)c21)Cc1ccccc1-3
InChIInChI=1S/C44H31N3/c1-44(2)38-19-11-10-18-33(38)37-25-35-32-17-9-7-15-28(32)23-36(35)39(40(37)44)43-46-41(26-12-4-3-5-13-26)45-42(47-43)30-21-20-29-22-27-14-6-8-16-31(27)34(29)24-30/h3-21,24-25H,22-23H2,1-2H3
InChIKeyIZNAQVROPWWBFO-UHFFFAOYSA-N
MW601.75 g/mol
LogP10.32
Rot. Bonds3

About 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine

2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 134218216) has the molecular formula C44H31N3 and a molecular weight of 601.75 g/mol. Its IUPAC name is 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine
PubChem CID134218216
Molecular FormulaC44H31N3
Molecular Weight601.75 g/mol
Exact Mass601.25
IUPAC Name2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(c(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)-c5ccccc5C6)n4)c21)Cc1ccccc1-3
InChIInChI=1S/C44H31N3/c1-44(2)38-19-11-10-18-33(38)37-25-35-32-17-9-7-15-28(32)23-36(35)39(40(37)44)43-46-41(26-12-4-3-5-13-26)45-42(47-43)30-21-20-29-22-27-14-6-8-16-31(27)34(29)24-30/h3-21,24-25H,22-23H2,1-2H3
InChIKeyIZNAQVROPWWBFO-UHFFFAOYSA-N
XLogP10.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-[6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241565
2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene
CID 144558249
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
CID 118685410
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-[4-(9H-fluoren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154951427
2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine
CID 134218170
2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 118685337
2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
CID 161346190
2-[3-[5-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241569
2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161494558
2-[3-(9H-fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158076538
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine (CID 134218216) is 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3c(c(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)-c5ccccc5C6)n4)c21)Cc1ccccc1-3.
What is the InChIKey of 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is IZNAQVROPWWBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3/c1-44(2)38-19-11-10-18-33(38)37-25-35-32-17-9-7-15-28(32)23-36(35)39(40(37)44)43-46-41(26-12-4-3-5-13-26)45-42(47-43)30-21-20-29-22-27-14-6-8-16-31(27)34(29)24-30/h3-21,24-25H,22-23H2,1-2H3.
What are the key properties of 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine?
2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 601.75 g/mol, XLogP of 10.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134218216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).