12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole

C57H36N4O2 — CID 153304572

IUPAC12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)CC(c2ccccc2)C(n2c3ccccc3c3ccc4oc5ccccc5c4c32)=C1c1ccccc1
InChIInChI=1S/C57H36N4O2/c1-4-16-35(17-5-1)45-32-39(57-59-55(37-20-8-3-9-21-37)58-56(60-57)38-28-29-42-41-23-11-14-26-48(41)63-51(42)34-38)33-46(36-18-6-2-7-19-36)53(45)61-47-25-13-10-22-40(47)43-30-31-50-52(54(43)61)44-24-12-15-27-49(44)62-50/h1-32,34,46H,33H2
InChIKeyXFFYAEMHMUARPY-UHFFFAOYSA-N
MW808.94 g/mol
LogP14.75
Rot. Bonds6

About 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole

12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 153304572) has the molecular formula C57H36N4O2 and a molecular weight of 808.94 g/mol. Its IUPAC name is 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole
PubChem CID153304572
Molecular FormulaC57H36N4O2
Molecular Weight808.94 g/mol
Exact Mass808.28
IUPAC Name12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)CC(c2ccccc2)C(n2c3ccccc3c3ccc4oc5ccccc5c4c32)=C1c1ccccc1
InChIInChI=1S/C57H36N4O2/c1-4-16-35(17-5-1)45-32-39(57-59-55(37-20-8-3-9-21-37)58-56(60-57)38-28-29-42-41-23-11-14-26-48(41)63-51(42)34-38)33-46(36-18-6-2-7-19-36)53(45)61-47-25-13-10-22-40(47)43-30-31-50-52(54(43)61)44-24-12-15-27-49(44)62-50/h1-32,34,46H,33H2
InChIKeyXFFYAEMHMUARPY-UHFFFAOYSA-N
XLogP14.75
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.94
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole
CID 147713057
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 146280449
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
CID 146976667
12-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163960395
12-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164932814
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 129141729
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole (CID 153304572) is 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole is C1=C(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)CC(c2ccccc2)C(n2c3ccccc3c3ccc4oc5ccccc5c4c32)=C1c1ccccc1.
What is the InChIKey of 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is XFFYAEMHMUARPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O2/c1-4-16-35(17-5-1)45-32-39(57-59-55(37-20-8-3-9-21-37)58-56(60-57)38-28-29-42-41-23-11-14-26-48(41)63-51(42)34-38)33-46(36-18-6-2-7-19-36)53(45)61-47-25-13-10-22-40(47)43-30-31-50-52(54(43)61)44-24-12-15-27-49(44)62-50/h1-32,34,46H,33H2.
What are the key properties of 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole?
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 808.94 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 153304572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).