2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine

C43H31N3 — CID 118685410

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4cccc(-c6ccccc6)c4C5)n3)cc21
InChIInChI=1S/C43H31N3/c1-43(2)38-19-10-9-16-34(38)35-23-22-31(26-39(35)43)42-45-40(28-14-7-4-8-15-28)44-41(46-42)30-21-20-29-24-37-32(27-12-5-3-6-13-27)17-11-18-33(37)36(29)25-30/h3-23,25-26H,24H2,1-2H3
InChIKeyRXURTPULBGOMPO-UHFFFAOYSA-N
MW589.74 g/mol
LogP10.42
Rot. Bonds4

About 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine (PubChem CID 118685410) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
PubChem CID118685410
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4cccc(-c6ccccc6)c4C5)n3)cc21
InChIInChI=1S/C43H31N3/c1-43(2)38-19-10-9-16-34(38)35-23-22-31(26-39(35)43)42-45-40(28-14-7-4-8-15-28)44-41(46-42)30-21-20-29-24-37-32(27-12-5-3-6-13-27)17-11-18-33(37)36(29)25-30/h3-23,25-26H,24H2,1-2H3
InChIKeyRXURTPULBGOMPO-UHFFFAOYSA-N
XLogP10.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-[4-[8-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 159284999
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-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888
2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161494558
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine
CID 158720930
2-[4-[8-(9,9-dimethylfluoren-3-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241556
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-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine
CID 118685409
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine (CID 118685410) is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4cccc(-c6ccccc6)c4C5)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine?
The InChIKey is RXURTPULBGOMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-43(2)38-19-10-9-16-34(38)35-23-22-31(26-39(35)43)42-45-40(28-14-7-4-8-15-28)44-41(46-42)30-21-20-29-24-37-32(27-12-5-3-6-13-27)17-11-18-33(37)36(29)25-30/h3-23,25-26H,24H2,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine has a molecular weight of 589.74 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine is sourced from PubChem (CID 118685410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).