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

C45H28N4O — CID 169059426

IUPAC1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc2c1oc1ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc12
InChIInChI=1S/C45H28N4O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)33-25-26-41-37(28-33)36-21-12-24-40(42(36)50-41)49-38-22-9-7-19-34(38)35-20-8-10-23-39(35)49/h1-28H/i7D,8D,9D,19D,20D,22D,23D
InChIKeyCLLKRKYHUNFCTQ-IALDDBTNSA-N
MW647.79 g/mol
LogP11.54
Rot. Bonds5

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

1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 169059426) has the molecular formula C45H28N4O and a molecular weight of 647.79 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
PubChem CID169059426
Molecular FormulaC45H28N4O
Molecular Weight647.79 g/mol
Exact Mass647.27
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc2c1oc1ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc12
InChIInChI=1S/C45H28N4O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)33-25-26-41-37(28-33)36-21-12-24-40(42(36)50-41)49-38-22-9-7-19-34(38)35-20-8-10-23-39(35)49/h1-28H/i7D,8D,9D,19D,20D,22D,23D
InChIKeyCLLKRKYHUNFCTQ-IALDDBTNSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.79
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 169059490
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130323
1,3,4,5,6,8-hexadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 165165877
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130467
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(4-naphthalen-1-ylphenyl)-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130618
9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 168769877
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130587
1,2,3,4,5,6,7,8-octadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 169059487
1,2,3,4,5,6,7,8-octadeuterio-9-[5-(8-phenyldibenzofuran-2-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177292415
9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
CID 177130463
2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 170371029
1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098178

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (CID 169059426) is 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc2c1oc1ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc12.
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is CLLKRKYHUNFCTQ-IALDDBTNSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)33-25-26-41-37(28-33)36-21-12-24-40(42(36)50-41)49-38-22-9-7-19-34(38)35-20-8-10-23-39(35)49/h1-28H/i7D,8D,9D,19D,20D,22D,23D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 647.79 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 169059426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).