2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C48H35N3 — CID 139400666

IUPAC2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3)c(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc21
InChIInChI=1S/C48H35N3/c1-48(2)43-27-13-12-26-39(43)42-30-40(32-16-6-3-7-17-32)41(31-44(42)48)37-24-14-22-35(28-37)36-23-15-25-38(29-36)47-50-45(33-18-8-4-9-19-33)49-46(51-47)34-20-10-5-11-21-34/h3-31H,1-2H3
InChIKeyGNIQVEINJVPHMN-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.18
Rot. Bonds6

About 2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 139400666) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID139400666
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3)c(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc21
InChIInChI=1S/C48H35N3/c1-48(2)43-27-13-12-26-39(43)42-30-40(32-16-6-3-7-17-32)41(31-44(42)48)37-24-14-22-35(28-37)36-23-15-25-38(29-36)47-50-45(33-18-8-4-9-19-33)49-46(51-47)34-20-10-5-11-21-34/h3-31H,1-2H3
InChIKeyGNIQVEINJVPHMN-UHFFFAOYSA-N
XLogP12.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-phenyl-4-(4-phenylphenyl)-6-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]-1,3,5-triazine
CID 166901559
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2-[3-(10,10,14,14,15,15-hexamethyl-7-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10,20,20,21,21-hexamethyl-7-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163788746
2-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158103642
2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 118426889
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888
2-[3-[3-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158152311

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 139400666) is 2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3ccccc3)c(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc21.
What is the InChIKey of 2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is GNIQVEINJVPHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-48(2)43-27-13-12-26-39(43)42-30-40(32-16-6-3-7-17-32)41(31-44(42)48)37-24-14-22-35(28-37)36-23-15-25-38(29-36)47-50-45(33-18-8-4-9-19-33)49-46(51-47)34-20-10-5-11-21-34/h3-31H,1-2H3.
What are the key properties of 2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 653.83 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 139400666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).