11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

C45H28N4O2 — CID 163748780

IUPAC11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3OC2c2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C45H28N4O2/c1-3-13-27(14-4-1)43-46-44(33-20-12-24-38-39(33)32-18-8-10-23-37(32)50-38)48-45(47-43)34-21-11-19-29-30-25-26-36-40(42(30)51-41(29)34)31-17-7-9-22-35(31)49(36)28-15-5-2-6-16-28/h1-26,30,42H
InChIKeyMOEUIXYQECDTAX-UHFFFAOYSA-N
MW656.75 g/mol
LogP10.96
Rot. Bonds4

About 11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 163748780) has the molecular formula C45H28N4O2 and a molecular weight of 656.75 g/mol. Its IUPAC name is 11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
PubChem CID163748780
Molecular FormulaC45H28N4O2
Molecular Weight656.75 g/mol
Exact Mass656.22
IUPAC Name11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3OC2c2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C45H28N4O2/c1-3-13-27(14-4-1)43-46-44(33-20-12-24-38-39(33)32-18-8-10-23-37(32)50-38)48-45(47-43)34-21-11-19-29-30-25-26-36-40(42(30)51-41(29)34)31-17-7-9-22-35(31)49(36)28-15-5-2-6-16-28/h1-26,30,42H
InChIKeyMOEUIXYQECDTAX-UHFFFAOYSA-N
XLogP10.96
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.75
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163732814
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-methyl-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163641712
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
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
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
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
5-[3-(4-phenylphenyl)phenyl]-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163676525
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592032
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
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 163748780) is 11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CC2c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3OC2c2c1n(-c1ccccc1)c1ccccc21.
What is the InChIKey of 11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is MOEUIXYQECDTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O2/c1-3-13-27(14-4-1)43-46-44(33-20-12-24-38-39(33)32-18-8-10-23-37(32)50-38)48-45(47-43)34-21-11-19-29-30-25-26-36-40(42(30)51-41(29)34)31-17-7-9-22-35(31)49(36)28-15-5-2-6-16-28/h1-26,30,42H.
What are the key properties of 11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 656.75 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163748780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).