2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C48H33N3 — CID 118426885

IUPAC2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4c3)cccc21
InChIInChI=1S/C48H33N3/c1-48(2)42-19-8-7-16-40(42)44-38(17-10-20-43(44)48)35-24-23-32-15-9-18-39(41(32)29-35)47-50-45(36-25-21-30-11-3-5-13-33(30)27-36)49-46(51-47)37-26-22-31-12-4-6-14-34(31)28-37/h3-29H,1-2H3
InChIKeyVBDWWAPZCDDXFQ-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.31
Rot. Bonds4

About 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 118426885) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID118426885
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4c3)cccc21
InChIInChI=1S/C48H33N3/c1-48(2)42-19-8-7-16-40(42)44-38(17-10-20-43(44)48)35-24-23-32-15-9-18-39(41(32)29-35)47-50-45(36-25-21-30-11-3-5-13-33(30)27-36)49-46(51-47)37-26-22-31-12-4-6-14-34(31)28-37/h3-29H,1-2H3
InChIKeyVBDWWAPZCDDXFQ-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 163527458
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 170927879
2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 159292618
2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427208
2-[7-[9-[[4-[4-[4-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-9-methylfluoren-4-yl]naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 167178291
2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680990
2-[5-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[8-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 160631923
2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 159386432
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 59194727
2-[1-(9,9-dimethylfluoren-2-yl)-6-[7-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-3-yl]naphthalen-2-yl]-4,6-di(phenanthren-2-yl)-1,3,5-triazine
CID 167178247
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
2-(11,11-dimethylbenzo[b]fluoren-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-7-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-8-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-8-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157383875

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 118426885) is 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4c3)cccc21.
What is the InChIKey of 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is VBDWWAPZCDDXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-48(2)42-19-8-7-16-40(42)44-38(17-10-20-43(44)48)35-24-23-32-15-9-18-39(41(32)29-35)47-50-45(36-25-21-30-11-3-5-13-33(30)27-36)49-46(51-47)37-26-22-31-12-4-6-14-34(31)28-37/h3-29H,1-2H3.
What are the key properties of 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 651.81 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 118426885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).