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

C41H32N4O — CID 166988457

IUPAC1-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
SMILESCC1C=CC=C(c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cccc(-n5c6c(c7ccccc75)C=CCC6C)c34)n2)C1
InChIInChI=1S/C41H32N4O/c1-25-12-8-16-28(24-25)40-42-39(27-14-4-3-5-15-27)43-41(44-40)32-20-10-19-31-36-34(22-11-23-35(36)46-38(31)32)45-33-21-7-6-17-29(33)30-18-9-13-26(2)37(30)45/h3-12,14-23,25-26H,13,24H2,1-2H3
InChIKeyQQSGDPUFZNJJCG-UHFFFAOYSA-N
MW596.73 g/mol
LogP10.55
Rot. Bonds4

About 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

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 (PubChem CID 166988457) has the molecular formula C41H32N4O and a molecular weight of 596.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID166988457
Molecular FormulaC41H32N4O
Molecular Weight596.73 g/mol
Exact Mass596.26
IUPAC Name1-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
SMILESCC1C=CC=C(c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cccc(-n5c6c(c7ccccc75)C=CCC6C)c34)n2)C1
InChIInChI=1S/C41H32N4O/c1-25-12-8-16-28(24-25)40-42-39(27-14-4-3-5-15-27)43-41(44-40)32-20-10-19-31-36-34(22-11-23-35(36)46-38(31)32)45-33-21-7-6-17-29(33)30-18-9-13-26(2)37(30)45/h3-12,14-23,25-26H,13,24H2,1-2H3
InChIKeyQQSGDPUFZNJJCG-UHFFFAOYSA-N
XLogP10.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
9-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 168770543
9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 168769775
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
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
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-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 169011472
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 167223794
CID 174073056
CID 174073056

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C=CC=C(c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cccc(-n5c6c(c7ccccc75)C=CCC6C)c34)n2)C1.
What is the InChIKey of 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?
The InChIKey is QQSGDPUFZNJJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N4O/c1-25-12-8-16-28(24-25)40-42-39(27-14-4-3-5-15-27)43-41(44-40)32-20-10-19-31-36-34(22-11-23-35(36)46-38(31)32)45-33-21-7-6-17-29(33)30-18-9-13-26(2)37(30)45/h3-12,14-23,25-26H,13,24H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 596.73 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166988457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).