9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

C102H64N8O3S — CID 163768613

IUPAC9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21.C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)ccc3OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21
InChIInChI=1S/C51H32N4O2.C51H32N4OS/c1-3-11-31(12-4-1)32-19-23-36(24-20-32)55-42-17-9-7-16-40(42)47-43(55)27-26-39-41-29-34(22-28-45(41)57-48(39)47)50-52-49(33-13-5-2-6-14-33)53-51(54-50)35-21-25-38-37-15-8-10-18-44(37)56-46(38)30-35;1-3-11-31(12-4-1)32-19-23-36(24-20-32)55-42-17-9-7-16-40(42)47-43(55)27-26-39-41-29-34(22-28-44(41)56-48(39)47)50-52-49(33-13-5-2-6-14-33)53-51(54-50)35-21-25-38-37-15-8-10-18-45(37)57-46(38)30-35/h2*1-30,39,48H
InChIKeyMEMYEFJKPLBWDC-UHFFFAOYSA-N
MW1481.75 g/mol
LogP25.72
Rot. Bonds10

About 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 163768613) has the molecular formula C102H64N8O3S and a molecular weight of 1481.75 g/mol. Its IUPAC name is 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
PubChem CID163768613
Molecular FormulaC102H64N8O3S
Molecular Weight1481.75 g/mol
Exact Mass1480.48
IUPAC Name9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21.C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)ccc3OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21
InChIInChI=1S/C51H32N4O2.C51H32N4OS/c1-3-11-31(12-4-1)32-19-23-36(24-20-32)55-42-17-9-7-16-40(42)47-43(55)27-26-39-41-29-34(22-28-45(41)57-48(39)47)50-52-49(33-13-5-2-6-14-33)53-51(54-50)35-21-25-38-37-15-8-10-18-44(37)56-46(38)30-35;1-3-11-31(12-4-1)32-19-23-36(24-20-32)55-42-17-9-7-16-40(42)47-43(55)27-26-39-41-29-34(22-28-44(41)56-48(39)47)50-52-49(33-13-5-2-6-14-33)53-51(54-50)35-21-25-38-37-15-8-10-18-45(37)57-46(38)30-35/h2*1-30,39,48H
InChIKeyMEMYEFJKPLBWDC-UHFFFAOYSA-N
XLogP25.72
TPSA118.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001481.75
LogP ≤ 525.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163922728
5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163607189
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163546959
8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163534280
9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163833771
5-phenyl-9-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163859807
8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163718922
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165082275
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole
CID 170278594
5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163966387
2-dibenzofuran-3-yl-4-[4-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 162122962
10-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163708146

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 163768613) is 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21.C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)ccc3OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21.
What is the InChIKey of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is MEMYEFJKPLBWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2.C51H32N4OS/c1-3-11-31(12-4-1)32-19-23-36(24-20-32)55-42-17-9-7-16-40(42)47-43(55)27-26-39-41-29-34(22-28-45(41)57-48(39)47)50-52-49(33-13-5-2-6-14-33)53-51(54-50)35-21-25-38-37-15-8-10-18-44(37)56-46(38)30-35;1-3-11-31(12-4-1)32-19-23-36(24-20-32)55-42-17-9-7-16-40(42)47-43(55)27-26-39-41-29-34(22-28-44(41)56-48(39)47)50-52-49(33-13-5-2-6-14-33)53-51(54-50)35-21-25-38-37-15-8-10-18-45(37)57-46(38)30-35/h2*1-30,39,48H.
What are the key properties of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1481.75 g/mol, XLogP of 25.72, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163768613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).