5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole

C57H36N4O2 — CID 139342404

IUPAC5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESC1=CC2c3c(-c4cccc5oc6ccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)cc6c45)cccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C57H36N4O2/c1-3-13-35(14-4-1)36-25-27-37(28-26-36)55-58-56(60-57(59-55)39-29-31-42-41-17-8-10-23-49(41)63-52(42)34-39)38-30-32-50-46(33-38)54-44(20-12-24-51(54)62-50)43-19-11-22-48-53(43)45-18-7-9-21-47(45)61(48)40-15-5-2-6-16-40/h1-34,45,47H
InChIKeyGGMRBHPWCOXCST-UHFFFAOYSA-N
MW808.94 g/mol
LogP14.74
Rot. Bonds6

About 5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole

5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole (PubChem CID 139342404) has the molecular formula C57H36N4O2 and a molecular weight of 808.94 g/mol. Its IUPAC name is 5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
PubChem CID139342404
Molecular FormulaC57H36N4O2
Molecular Weight808.94 g/mol
Exact Mass808.28
IUPAC Name5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESC1=CC2c3c(-c4cccc5oc6ccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)cc6c45)cccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C57H36N4O2/c1-3-13-35(14-4-1)36-25-27-37(28-26-36)55-58-56(60-57(59-55)39-29-31-42-41-17-8-10-23-49(41)63-52(42)34-39)38-30-32-50-46(33-38)54-44(20-12-24-51(54)62-50)43-19-11-22-48-53(43)45-18-7-9-21-47(45)61(48)40-15-5-2-6-16-40/h1-34,45,47H
InChIKeyGGMRBHPWCOXCST-UHFFFAOYSA-N
XLogP14.74
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.94
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 170153049
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146937839
9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 176607657
2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192124
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole
CID 166918804
9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767909
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477
2-dibenzofuran-3-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 140946348
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
7-[4-[4-(8-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 170264425
3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767734

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The IUPAC name of 5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole (CID 139342404) is 5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole.
What is the SMILES notation for 5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The canonical SMILES for 5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole is C1=CC2c3c(-c4cccc5oc6ccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)cc6c45)cccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of 5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The InChIKey is GGMRBHPWCOXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O2/c1-3-13-35(14-4-1)36-25-27-37(28-26-36)55-58-56(60-57(59-55)39-29-31-42-41-17-8-10-23-49(41)63-52(42)34-39)38-30-32-50-46(33-38)54-44(20-12-24-51(54)62-50)43-19-11-22-48-53(43)45-18-7-9-21-47(45)61(48)40-15-5-2-6-16-40/h1-34,45,47H.
What are the key properties of 5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole has a molecular weight of 808.94 g/mol, XLogP of 14.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole is sourced from PubChem (CID 139342404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).