6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline

C43H28N4 — CID 151110061

IUPAC6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc4ncccc4c3)n2)cc1
InChIInChI=1S/C43H28N4/c1-4-13-29(14-5-1)40-45-41(31-23-25-39-30(27-31)15-12-26-44-39)47-42(46-40)32-22-24-36-35-20-10-11-21-37(35)43(38(36)28-32,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-28H
InChIKeyMPXZQJBADMQCFS-UHFFFAOYSA-N
MW600.73 g/mol
LogP9.78
Rot. Bonds5

About 6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline

6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline (PubChem CID 151110061) has the molecular formula C43H28N4 and a molecular weight of 600.73 g/mol. Its IUPAC name is 6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline
PubChem CID151110061
Molecular FormulaC43H28N4
Molecular Weight600.73 g/mol
Exact Mass600.23
IUPAC Name6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc4ncccc4c3)n2)cc1
InChIInChI=1S/C43H28N4/c1-4-13-29(14-5-1)40-45-41(31-23-25-39-30(27-31)15-12-26-44-39)47-42(46-40)32-22-24-36-35-20-10-11-21-37(35)43(38(36)28-32,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-28H
InChIKeyMPXZQJBADMQCFS-UHFFFAOYSA-N
XLogP9.78
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
4-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]-N,N-diphenylaniline;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]-N,N-diphenylaniline;N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161181165
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole
CID 130440836
2-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146633258
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline
CID 142453620
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161211377
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline (CID 151110061) is 6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline is c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc4ncccc4c3)n2)cc1.
What is the InChIKey of 6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The InChIKey is MPXZQJBADMQCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4/c1-4-13-29(14-5-1)40-45-41(31-23-25-39-30(27-31)15-12-26-44-39)47-42(46-40)32-22-24-36-35-20-10-11-21-37(35)43(38(36)28-32,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-28H.
What are the key properties of 6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline?
6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline has a molecular weight of 600.73 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 151110061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).