9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole

C47H48N4O — CID 167223108

IUPAC9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole
SMILESCC1C=C(C2=NC(C3=CCCCC3)NC(C3=CCCc4oc5cc(-n6c7c(c8cc(-c9ccccc9)ccc86)CCCC7C)ccc5c43)N2)C=CC1
InChIInChI=1S/C47H48N4O/c1-29-12-9-18-34(26-29)46-48-45(32-16-7-4-8-17-32)49-47(50-46)38-20-11-21-41-43(38)37-24-23-35(28-42(37)52-41)51-40-25-22-33(31-14-5-3-6-15-31)27-39(40)36-19-10-13-30(2)44(36)51/h3,5-6,9,14-16,18,20,22-30,45,47,49H,4,7-8,10-13,17,19,21H2,1-2H3,(H,48,50)
InChIKeySQZYDQOOONQHHE-UHFFFAOYSA-N
MW684.93 g/mol
LogP11.08
Rot. Bonds5

About 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole

9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 167223108) has the molecular formula C47H48N4O and a molecular weight of 684.93 g/mol. Its IUPAC name is 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole
PubChem CID167223108
Molecular FormulaC47H48N4O
Molecular Weight684.93 g/mol
Exact Mass684.38
IUPAC Name9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole
SMILESCC1C=C(C2=NC(C3=CCCCC3)NC(C3=CCCc4oc5cc(-n6c7c(c8cc(-c9ccccc9)ccc86)CCCC7C)ccc5c43)N2)C=CC1
InChIInChI=1S/C47H48N4O/c1-29-12-9-18-34(26-29)46-48-45(32-16-7-4-8-17-32)49-47(50-46)38-20-11-21-41-43(38)37-24-23-35(28-42(37)52-41)51-40-25-22-33(31-14-5-3-6-15-31)27-39(40)36-19-10-13-30(2)44(36)51/h3,5-6,9,14-16,18,20,22-30,45,47,49H,4,7-8,10-13,17,19,21H2,1-2H3,(H,48,50)
InChIKeySQZYDQOOONQHHE-UHFFFAOYSA-N
XLogP11.08
TPSA54.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.93
LogP ≤ 511.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole with MolForge

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Related Compounds

3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole
CID 146334370
3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 126700298
9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 146395981
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
4-cyclohexa-1,3-dien-1-yl-9-[9-[4-[3-(cyclohexen-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 167200633
2-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 163629155
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 146395683
3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335804
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 166859669
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146334196
3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole
CID 167138282

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole (CID 167223108) is 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole is CC1C=C(C2=NC(C3=CCCCC3)NC(C3=CCCc4oc5cc(-n6c7c(c8cc(-c9ccccc9)ccc86)CCCC7C)ccc5c43)N2)C=CC1.
What is the InChIKey of 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is SQZYDQOOONQHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48N4O/c1-29-12-9-18-34(26-29)46-48-45(32-16-7-4-8-17-32)49-47(50-46)38-20-11-21-41-43(38)37-24-23-35(28-42(37)52-41)51-40-25-22-33(31-14-5-3-6-15-31)27-39(40)36-19-10-13-30(2)44(36)51/h3,5-6,9,14-16,18,20,22-30,45,47,49H,4,7-8,10-13,17,19,21H2,1-2H3,(H,48,50).
What are the key properties of 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole?
9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 684.93 g/mol, XLogP of 11.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-(cyclohexen-1-yl)-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-6,7-dihydrodibenzofuran-3-yl]-1-methyl-6-phenyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 167223108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).