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

C34H24ClN3 — CID 171439384

IUPAC2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(Cl)nc(-c4cccc(-c5cccc6ccccc56)c4)n3)ccc21
InChIInChI=1S/C34H24ClN3/c1-34(2)29-16-6-5-14-27(29)28-20-24(17-18-30(28)34)32-36-31(37-33(35)38-32)23-12-7-11-22(19-23)26-15-8-10-21-9-3-4-13-25(21)26/h3-20H,1-2H3
InChIKeyVUCLZHFUKINYQT-UHFFFAOYSA-N
MW510.04 g/mol
LogP8.99
Rot. Bonds3

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

2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 171439384) has the molecular formula C34H24ClN3 and a molecular weight of 510.04 g/mol. Its IUPAC name is 2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
PubChem CID171439384
Molecular FormulaC34H24ClN3
Molecular Weight510.04 g/mol
Exact Mass509.17
IUPAC Name2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(Cl)nc(-c4cccc(-c5cccc6ccccc56)c4)n3)ccc21
InChIInChI=1S/C34H24ClN3/c1-34(2)29-16-6-5-14-27(29)28-20-24(17-18-30(28)34)32-36-31(37-33(35)38-32)23-12-7-11-22(19-23)26-15-8-10-21-9-3-4-13-25(21)26/h3-20H,1-2H3
InChIKeyVUCLZHFUKINYQT-UHFFFAOYSA-N
XLogP8.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.04
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168779261
4-[4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776932
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777562
2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427313
2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244824
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778428
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-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614101

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 171439384) is 2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3nc(Cl)nc(-c4cccc(-c5cccc6ccccc56)c4)n3)ccc21.
What is the InChIKey of 2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is VUCLZHFUKINYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24ClN3/c1-34(2)29-16-6-5-14-27(29)28-20-24(17-18-30(28)34)32-36-31(37-33(35)38-32)23-12-7-11-22(19-23)26-15-8-10-21-9-3-4-13-25(21)26/h3-20H,1-2H3.
What are the key properties of 2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 510.04 g/mol, XLogP of 8.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171439384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).