2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine

C41H31N3 — CID 154618868

IUPAC2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cccc(-c3nc(C4=CCCC=C4)nc(-c4ccccc4)n3)c1-2
InChIInChI=1S/C41H31N3/c1-28-25-26-33-36(27-28)41(31-19-10-4-11-20-31,32-21-12-5-13-22-32)35-24-14-23-34(37(33)35)40-43-38(29-15-6-2-7-16-29)42-39(44-40)30-17-8-3-9-18-30/h2,4-8,10-27H,3,9H2,1H3
InChIKeyOBSDSDUGOPSHSP-UHFFFAOYSA-N
MW565.72 g/mol
LogP9.61
Rot. Bonds5

About 2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine (PubChem CID 154618868) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
PubChem CID154618868
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cccc(-c3nc(C4=CCCC=C4)nc(-c4ccccc4)n3)c1-2
InChIInChI=1S/C41H31N3/c1-28-25-26-33-36(27-28)41(31-19-10-4-11-20-31,32-21-12-5-13-22-32)35-24-14-23-34(37(33)35)40-43-38(29-15-6-2-7-16-29)42-39(44-40)30-17-8-3-9-18-30/h2,4-8,10-27H,3,9H2,1H3
InChIKeyOBSDSDUGOPSHSP-UHFFFAOYSA-N
XLogP9.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 155765178
2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765168
2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 123496418
2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 134569830
2-cyclohexa-1,5-dien-1-yl-4-[11-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-6-phenylpyrimidine
CID 145452827
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine
CID 145390974
11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole
CID 131973034
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole
CID 118507677

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine (CID 154618868) is 2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cccc(-c3nc(C4=CCCC=C4)nc(-c4ccccc4)n3)c1-2.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is OBSDSDUGOPSHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c1-28-25-26-33-36(27-28)41(31-19-10-4-11-20-31,32-21-12-5-13-22-32)35-24-14-23-34(37(33)35)40-43-38(29-15-6-2-7-16-29)42-39(44-40)30-17-8-3-9-18-30/h2,4-8,10-27H,3,9H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 565.72 g/mol, XLogP of 9.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 154618868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).