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

C52H37N3 — CID 118427313

IUPAC2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4nc(-c5ccccc5-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)c4ccccc34)ccc21
InChIInChI=1S/C52H37N3/c1-52(2)47-28-16-15-25-42(47)46-33-36(29-32-48(46)52)39-30-31-45(41-24-12-11-23-40(39)41)51-54-49(43-26-13-9-21-37(43)34-17-5-3-6-18-34)53-50(55-51)44-27-14-10-22-38(44)35-19-7-4-8-20-35/h3-33H,1-2H3
InChIKeyDOUXJVCJVMYAOG-UHFFFAOYSA-N
MW703.89 g/mol
LogP13.33
Rot. Bonds6

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

2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine (PubChem CID 118427313) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
PubChem CID118427313
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4nc(-c5ccccc5-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)c4ccccc34)ccc21
InChIInChI=1S/C52H37N3/c1-52(2)47-28-16-15-25-42(47)46-33-36(29-32-48(46)52)39-30-31-45(41-24-12-11-23-40(39)41)51-54-49(43-26-13-9-21-37(43)34-17-5-3-6-18-34)53-50(55-51)44-27-14-10-22-38(44)35-19-7-4-8-20-35/h3-33H,1-2H3
InChIKeyDOUXJVCJVMYAOG-UHFFFAOYSA-N
XLogP13.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427220
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778428
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155465513
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
CID 168779140
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168779151
2-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228023
4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
CID 174327262
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160518979
2-chloro-4-(9,9-dimethylfluoren-3-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439384
2-[2-(16,16-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118921002
2-[4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 164721888

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine (CID 118427313) is 2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3ccc(-c4nc(-c5ccccc5-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)c4ccccc34)ccc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is DOUXJVCJVMYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-52(2)47-28-16-15-25-42(47)46-33-36(29-32-48(46)52)39-30-31-45(41-24-12-11-23-40(39)41)51-54-49(43-26-13-9-21-37(43)34-17-5-3-6-18-34)53-50(55-51)44-27-14-10-22-38(44)35-19-7-4-8-20-35/h3-33H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 703.89 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118427313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).