3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole

C40H30N4O — CID 130180744

IUPAC3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESCC1C=Cc2c(oc3ccccc23)C1C1N=C(c2ccccc2)NC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=N1
InChIInChI=1S/C40H30N4O/c1-25-20-22-31-30-17-9-11-19-35(30)45-37(31)36(25)40-42-38(26-12-4-2-5-13-26)41-39(43-40)27-21-23-34-32(24-27)29-16-8-10-18-33(29)44(34)28-14-6-3-7-15-28/h2-25,36,40H,1H3,(H,41,42,43)
InChIKeyXEARKQQFMVXFEJ-UHFFFAOYSA-N
MW582.71 g/mol
LogP9.10
Rot. Bonds4

About 3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole

3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 130180744) has the molecular formula C40H30N4O and a molecular weight of 582.71 g/mol. Its IUPAC name is 3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID130180744
Molecular FormulaC40H30N4O
Molecular Weight582.71 g/mol
Exact Mass582.24
IUPAC Name3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESCC1C=Cc2c(oc3ccccc23)C1C1N=C(c2ccccc2)NC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=N1
InChIInChI=1S/C40H30N4O/c1-25-20-22-31-30-17-9-11-19-35(30)45-37(31)36(25)40-42-38(26-12-4-2-5-13-26)41-39(43-40)27-21-23-34-32(24-27)29-16-8-10-18-33(29)44(34)28-14-6-3-7-15-28/h2-25,36,40H,1H3,(H,41,42,43)
InChIKeyXEARKQQFMVXFEJ-UHFFFAOYSA-N
XLogP9.10
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 166961453
2-(4-benzo[b]carbazol-5-ylphenyl)-4-(9-phenylcarbazol-3-yl)-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 137433590
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 90247491
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
5,9-diphenyl-14-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 174277243
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 130180744) is 3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole is CC1C=Cc2c(oc3ccccc23)C1C1N=C(c2ccccc2)NC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=N1.
What is the InChIKey of 3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is XEARKQQFMVXFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O/c1-25-20-22-31-30-17-9-11-19-35(30)45-37(31)36(25)40-42-38(26-12-4-2-5-13-26)41-39(43-40)27-21-23-34-32(24-27)29-16-8-10-18-33(29)44(34)28-14-6-3-7-15-28/h2-25,36,40H,1H3,(H,41,42,43).
What are the key properties of 3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole?
3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 582.71 g/mol, XLogP of 9.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 130180744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).