9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole

C39H26N4O — CID 163775601

IUPAC9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)n2)C=C1
InChIInChI=1S/C39H26N4O/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)43-33-17-9-7-15-29(33)30-21-19-28(24-34(30)43)27-20-22-36-32(23-27)31-16-8-10-18-35(31)44-36/h1-13,15-24,26H,14H2
InChIKeyMKDSLXVKIKELHF-UHFFFAOYSA-N
MW566.66 g/mol
LogP9.80
Rot. Bonds4

About 9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole

9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole (PubChem CID 163775601) has the molecular formula C39H26N4O and a molecular weight of 566.66 g/mol. Its IUPAC name is 9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
PubChem CID163775601
Molecular FormulaC39H26N4O
Molecular Weight566.66 g/mol
Exact Mass566.21
IUPAC Name9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)n2)C=C1
InChIInChI=1S/C39H26N4O/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)43-33-17-9-7-15-29(33)30-21-19-28(24-34(30)43)27-20-22-36-32(23-27)31-16-8-10-18-35(31)44-36/h1-13,15-24,26H,14H2
InChIKeyMKDSLXVKIKELHF-UHFFFAOYSA-N
XLogP9.80
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3,5-diphenylphenyl)carbazole
CID 135144062
2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164970157
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
2-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121306181
12'-[4-(4-cyclohexa-2,4-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 166875120
10-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,16,18,20-nonaene
CID 137469096
9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole
CID 167309669

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole?
The IUPAC name of 9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole (CID 163775601) is 9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole is C1=CCC(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)n2)C=C1.
What is the InChIKey of 9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole?
The InChIKey is MKDSLXVKIKELHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)43-33-17-9-7-15-29(33)30-21-19-28(24-34(30)43)27-20-22-36-32(23-27)31-16-8-10-18-35(31)44-36/h1-13,15-24,26H,14H2.
What are the key properties of 9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole?
9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole has a molecular weight of 566.66 g/mol, XLogP of 9.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 163775601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).