6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C50H48N6O — CID 139442416

IUPAC6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1=C(C2=NC(c3ccccc3)NC(c3ccccc3)N2)CC(c2ccc3c(c2)oc2ccccc23)C=C1C1NC(c2ccccc2)NC(C2C=CC=CC2)N1C
InChIInChI=1S/C50H48N6O/c1-32-41(48-52-45(33-17-7-3-8-18-33)51-46(53-48)34-19-9-4-10-20-34)29-38(37-27-28-40-39-25-15-16-26-43(39)57-44(40)31-37)30-42(32)50-55-47(35-21-11-5-12-22-35)54-49(56(50)2)36-23-13-6-14-24-36/h3-23,25-28,30-31,36,38,45-47,49-51,54-55H,24,29H2,1-2H3,(H,52,53)
InChIKeyMICCMRWJEUKRDB-UHFFFAOYSA-N
MW748.98 g/mol
LogP9.91
Rot. Bonds7

About 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 139442416) has the molecular formula C50H48N6O and a molecular weight of 748.98 g/mol. Its IUPAC name is 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID139442416
Molecular FormulaC50H48N6O
Molecular Weight748.98 g/mol
Exact Mass748.39
IUPAC Name6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1=C(C2=NC(c3ccccc3)NC(c3ccccc3)N2)CC(c2ccc3c(c2)oc2ccccc23)C=C1C1NC(c2ccccc2)NC(C2C=CC=CC2)N1C
InChIInChI=1S/C50H48N6O/c1-32-41(48-52-45(33-17-7-3-8-18-33)51-46(53-48)34-19-9-4-10-20-34)29-38(37-27-28-40-39-25-15-16-26-43(39)57-44(40)31-37)30-42(32)50-55-47(35-21-11-5-12-22-35)54-49(56(50)2)36-23-13-6-14-24-36/h3-23,25-28,30-31,36,38,45-47,49-51,54-55H,24,29H2,1-2H3,(H,52,53)
InChIKeyMICCMRWJEUKRDB-UHFFFAOYSA-N
XLogP9.91
TPSA76.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.98
LogP ≤ 59.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

9-[16-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole
CID 146664854
5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole
CID 155238394
15-[4-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenyl-25-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
CID 137095897
2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 174300944
6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167403396
4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 155382782
9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole
CID 145067647
9-[6-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 163673549
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091

Frequently Asked Questions

What is the IUPAC name of 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 139442416) is 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is CC1=C(C2=NC(c3ccccc3)NC(c3ccccc3)N2)CC(c2ccc3c(c2)oc2ccccc23)C=C1C1NC(c2ccccc2)NC(C2C=CC=CC2)N1C.
What is the InChIKey of 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is MICCMRWJEUKRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N6O/c1-32-41(48-52-45(33-17-7-3-8-18-33)51-46(53-48)34-19-9-4-10-20-34)29-38(37-27-28-40-39-25-15-16-26-43(39)57-44(40)31-37)30-42(32)50-55-47(35-21-11-5-12-22-35)54-49(56(50)2)36-23-13-6-14-24-36/h3-23,25-28,30-31,36,38,45-47,49-51,54-55H,24,29H2,1-2H3,(H,52,53).
What are the key properties of 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 748.98 g/mol, XLogP of 9.91, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 139442416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).