2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine

C42H29N3 — CID 164821194

IUPAC2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
SMILESCC1(c2nc(-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)c2ccccc2-c2ccccc21
InChIInChI=1S/C42H29N3/c1-41(34-24-12-8-20-30(34)31-21-9-13-25-35(31)41)39-43-38(28-16-4-2-5-17-28)44-40(45-39)42(29-18-6-3-7-19-29)36-26-14-10-22-32(36)33-23-11-15-27-37(33)42/h2-27H,1H3
InChIKeyGTVZWXJKMPKFLY-UHFFFAOYSA-N
MW575.72 g/mol
LogP9.24
Rot. Bonds4

About 2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine

2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine (PubChem CID 164821194) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
PubChem CID164821194
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
SMILESCC1(c2nc(-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)c2ccccc2-c2ccccc21
InChIInChI=1S/C42H29N3/c1-41(34-24-12-8-20-30(34)31-21-9-13-25-35(31)41)39-43-38(28-16-4-2-5-17-28)44-40(45-39)42(29-18-6-3-7-19-29)36-26-14-10-22-32(36)33-23-11-15-27-37(33)42/h2-27H,1H3
InChIKeyGTVZWXJKMPKFLY-UHFFFAOYSA-N
XLogP9.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-(3,5-diphenylphenyl)-4-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]fluoren-9-yl]-6-phenyl-1,3,5-triazine
CID 170367767
2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 122416348
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
2-dibenzothiophen-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821280
2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821282
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
2-[(9R)-9-methyl-9-phenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 125479874
2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine
CID 164821212

Frequently Asked Questions

What is the IUPAC name of 2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine?
The IUPAC name of 2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine (CID 164821194) is 2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine?
The canonical SMILES for 2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine is CC1(c2nc(-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine?
The InChIKey is GTVZWXJKMPKFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-41(34-24-12-8-20-30(34)31-21-9-13-25-35(31)41)39-43-38(28-16-4-2-5-17-28)44-40(45-39)42(29-18-6-3-7-19-29)36-26-14-10-22-32(36)33-23-11-15-27-37(33)42/h2-27H,1H3.
What are the key properties of 2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine?
2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine has a molecular weight of 575.72 g/mol, XLogP of 9.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine is sourced from PubChem (CID 164821194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).