9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole

C52H38N4O — CID 170065557

IUPAC9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole
SMILESCC1CC=Cc2c1n(-c1ccc(-c3nc(C4=CC=CCC4)nc(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)n3)cc1)c1ccccc21
InChIInChI=1S/C52H38N4O/c1-33-15-13-23-41-40-22-11-12-25-45(40)56(48(33)41)39-29-27-37(28-30-39)51-53-50(36-20-9-4-10-21-36)54-52(55-51)42-24-14-26-46-47(42)44-32-38(34-16-5-2-6-17-34)31-43(49(44)57-46)35-18-7-3-8-19-35/h2-9,11-14,16-20,22-33H,10,15,21H2,1H3
InChIKeyKMFYCIMLXHSWIF-UHFFFAOYSA-N
MW734.90 g/mol
LogP13.64
Rot. Bonds6

About 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole

9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole (PubChem CID 170065557) has the molecular formula C52H38N4O and a molecular weight of 734.90 g/mol. Its IUPAC name is 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole
PubChem CID170065557
Molecular FormulaC52H38N4O
Molecular Weight734.90 g/mol
Exact Mass734.30
IUPAC Name9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole
SMILESCC1CC=Cc2c1n(-c1ccc(-c3nc(C4=CC=CCC4)nc(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)n3)cc1)c1ccccc21
InChIInChI=1S/C52H38N4O/c1-33-15-13-23-41-40-22-11-12-25-45(40)56(48(33)41)39-29-27-37(28-30-39)51-53-50(36-20-9-4-10-21-36)54-52(55-51)42-24-14-26-46-47(42)44-32-38(34-16-5-2-6-17-34)31-43(49(44)57-46)35-18-7-3-8-19-35/h2-9,11-14,16-20,22-33H,10,15,21H2,1H3
InChIKeyKMFYCIMLXHSWIF-UHFFFAOYSA-N
XLogP13.64
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole with MolForge

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Related Compounds

1-methyl-9-[6-[4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,2-dihydrocarbazole
CID 166988457
2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine
CID 171430910
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147117573
2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 155203381
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 137496780
9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155049823
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9-phenylcarbazole
CID 154602054
3-[4-[6,8-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171050684
9-[4-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 166495968
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 146300876
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole
CID 166496047
2-[6,8-bis(3-phenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496708

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole?
The IUPAC name of 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole (CID 170065557) is 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole?
The canonical SMILES for 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole is CC1CC=Cc2c1n(-c1ccc(-c3nc(C4=CC=CCC4)nc(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)n3)cc1)c1ccccc21.
What is the InChIKey of 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole?
The InChIKey is KMFYCIMLXHSWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4O/c1-33-15-13-23-41-40-22-11-12-25-45(40)56(48(33)41)39-29-27-37(28-30-39)51-53-50(36-20-9-4-10-21-36)54-52(55-51)42-24-14-26-46-47(42)44-32-38(34-16-5-2-6-17-34)31-43(49(44)57-46)35-18-7-3-8-19-35/h2-9,11-14,16-20,22-33H,10,15,21H2,1H3.
What are the key properties of 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole?
9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole has a molecular weight of 734.90 g/mol, XLogP of 13.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole is sourced from PubChem (CID 170065557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).