2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine

C49H37N3 — CID 170927879

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc5c4-c4ccccc4C5(C)C)n3)cc21
InChIInChI=1S/C49H37N3/c1-48(2)41-18-10-8-15-38(41)44-39(16-11-19-42(44)48)47-51-45(32-23-20-31(21-24-32)34-25-22-30-12-5-6-13-33(30)28-34)50-46(52-47)35-26-27-37-36-14-7-9-17-40(36)49(3,4)43(37)29-35/h5-29H,1-4H3
InChIKeyAZAVHRGYCIGUQQ-UHFFFAOYSA-N
MW667.86 g/mol
LogP12.31
Rot. Bonds4

About 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine (PubChem CID 170927879) has the molecular formula C49H37N3 and a molecular weight of 667.86 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
PubChem CID170927879
Molecular FormulaC49H37N3
Molecular Weight667.86 g/mol
Exact Mass667.30
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc5c4-c4ccccc4C5(C)C)n3)cc21
InChIInChI=1S/C49H37N3/c1-48(2)41-18-10-8-15-38(41)44-39(16-11-19-42(44)48)47-51-45(32-23-20-31(21-24-32)34-25-22-30-12-5-6-13-33(30)28-34)50-46(52-47)35-26-27-37-36-14-7-9-17-40(36)49(3,4)43(37)29-35/h5-29H,1-4H3
InChIKeyAZAVHRGYCIGUQQ-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.86
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 118426889
2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 170927930
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171592076
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
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-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118426885
9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140710622
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine (CID 170927879) is 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc5c4-c4ccccc4C5(C)C)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is AZAVHRGYCIGUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N3/c1-48(2)41-18-10-8-15-38(41)44-39(16-11-19-42(44)48)47-51-45(32-23-20-31(21-24-32)34-25-22-30-12-5-6-13-33(30)28-34)50-46(52-47)35-26-27-37-36-14-7-9-17-40(36)49(3,4)43(37)29-35/h5-29H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 667.86 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-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170927879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).