2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene

C63H51N3 — CID 144558249

IUPAC2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C6)c4)c3)n2)cc1
InChIInChI=1S/C40H27N3.C16H16.C7H8/c1-3-11-27(12-4-1)38-41-39(28-13-5-2-6-14-28)43-40(42-38)35-19-10-18-31(24-35)29-16-9-17-30(23-29)32-21-22-34-25-33-15-7-8-20-36(33)37(34)26-32;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-7-5-3-2-4-6-7/h1-24,26H,25H2;4-10H,1-3H3;2-6H,1H3
InChIKeyLYUPIWSAVOOOLX-UHFFFAOYSA-N
MW850.12 g/mol
LogP16.07
Rot. Bonds5

About 2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene

2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene (PubChem CID 144558249) has the molecular formula C63H51N3 and a molecular weight of 850.12 g/mol. Its IUPAC name is 2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene.

Molecular Properties

Compound Name2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene
PubChem CID144558249
Molecular FormulaC63H51N3
Molecular Weight850.12 g/mol
Exact Mass849.41
IUPAC Name2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C6)c4)c3)n2)cc1
InChIInChI=1S/C40H27N3.C16H16.C7H8/c1-3-11-27(12-4-1)38-41-39(28-13-5-2-6-14-28)43-40(42-38)35-19-10-18-31(24-35)29-16-9-17-30(23-29)32-21-22-34-25-33-15-7-8-20-36(33)37(34)26-32;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-7-5-3-2-4-6-7/h1-24,26H,25H2;4-10H,1-3H3;2-6H,1H3
InChIKeyLYUPIWSAVOOOLX-UHFFFAOYSA-N
XLogP16.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.12
LogP ≤ 516.07
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-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
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-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-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 118685337
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 20724533
2-[3-(9H-fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158076538
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
2-[3-(15,15-dimethyl-5-pentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaenyl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 166995663

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene?
The IUPAC name of 2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene (CID 144558249) is 2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene.
What is the SMILES notation for 2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene?
The canonical SMILES for 2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene is Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C6)c4)c3)n2)cc1.
What is the InChIKey of 2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene?
The InChIKey is LYUPIWSAVOOOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3.C16H16.C7H8/c1-3-11-27(12-4-1)38-41-39(28-13-5-2-6-14-28)43-40(42-38)35-19-10-18-31(24-35)29-16-9-17-30(23-29)32-21-22-34-25-33-15-7-8-20-36(33)37(34)26-32;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-7-5-3-2-4-6-7/h1-24,26H,25H2;4-10H,1-3H3;2-6H,1H3.
What are the key properties of 2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene?
2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene has a molecular weight of 850.12 g/mol, XLogP of 16.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene is sourced from PubChem (CID 144558249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).