4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

C44H33N3 — CID 170411210

IUPAC4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESCC1(C)c2cc(C3=NC(c4ccccc4)NC(c4ccccc4)=N3)ccc2-c2c(-c3ccc4ccccc4c3)cc3ccccc3c21
InChIInChI=1S/C44H33N3/c1-44(2)38-27-34(43-46-41(29-14-5-3-6-15-29)45-42(47-43)30-16-7-4-8-17-30)23-24-36(38)39-37(26-32-19-11-12-20-35(32)40(39)44)33-22-21-28-13-9-10-18-31(28)25-33/h3-27,41H,1-2H3,(H,45,46,47)
InChIKeyJDDXTXFRFPIEPW-UHFFFAOYSA-N
MW603.77 g/mol
LogP10.46
Rot. Bonds4

About 4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 170411210) has the molecular formula C44H33N3 and a molecular weight of 603.77 g/mol. Its IUPAC name is 4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID170411210
Molecular FormulaC44H33N3
Molecular Weight603.77 g/mol
Exact Mass603.27
IUPAC Name4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESCC1(C)c2cc(C3=NC(c4ccccc4)NC(c4ccccc4)=N3)ccc2-c2c(-c3ccc4ccccc4c3)cc3ccccc3c21
InChIInChI=1S/C44H33N3/c1-44(2)38-27-34(43-46-41(29-14-5-3-6-15-29)45-42(47-43)30-16-7-4-8-17-30)23-24-36(38)39-37(26-32-19-11-12-20-35(32)40(39)44)33-22-21-28-13-9-10-18-31(28)25-33/h3-27,41H,1-2H3,(H,45,46,47)
InChIKeyJDDXTXFRFPIEPW-UHFFFAOYSA-N
XLogP10.46
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 510.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 174245608
4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 170411240
4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 166995315
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170410069
4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170410125
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
4,6-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine;10-[9,9-dimethyl-7-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)fluoren-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;2-[18-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl]-4,6-diphenyl-1,3,5-triazine;10-naphthalen-1-yl-18-(18-naphthalen-1-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene;10-naphthalen-2-yl-18-(18-naphthalen-2-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene;2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;10-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 160579012
4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidine
CID 170410128
6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145415039
4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167030408
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 170411210) is 4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is CC1(C)c2cc(C3=NC(c4ccccc4)NC(c4ccccc4)=N3)ccc2-c2c(-c3ccc4ccccc4c3)cc3ccccc3c21.
What is the InChIKey of 4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is JDDXTXFRFPIEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3/c1-44(2)38-27-34(43-46-41(29-14-5-3-6-15-29)45-42(47-43)30-16-7-4-8-17-30)23-24-36(38)39-37(26-32-19-11-12-20-35(32)40(39)44)33-22-21-28-13-9-10-18-31(28)25-33/h3-27,41H,1-2H3,(H,45,46,47).
What are the key properties of 4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 603.77 g/mol, XLogP of 10.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170411210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).