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

C61H38N4O — CID 177130618

IUPAC1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(4-naphthalen-1-ylphenyl)-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)nc(-c2cccc(-c3cccc4c3oc3ccc(-c5ccccc5)cc34)c2)n1
InChIInChI=1S/C61H38N4O/c1-2-15-39(16-3-1)43-35-36-57-53(38-43)51-27-14-26-48(58(51)66-57)44-19-12-20-45(37-44)60-62-59(42-33-31-41(32-34-42)47-25-13-18-40-17-4-5-21-46(40)47)63-61(64-60)52-24-8-11-30-56(52)65-54-28-9-6-22-49(54)50-23-7-10-29-55(50)65/h1-38H/i6D,7D,9D,22D,23D,28D,29D
InChIKeySSJJWDKAQOYHRM-ZCMYVUPSSA-N
MW850.04 g/mol
LogP16.02
Rot. Bonds7

About 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

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 (PubChem CID 177130618) has the molecular formula C61H38N4O and a molecular weight of 850.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(4-naphthalen-1-ylphenyl)-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID177130618
Molecular FormulaC61H38N4O
Molecular Weight850.04 g/mol
Exact Mass849.35
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(4-naphthalen-1-ylphenyl)-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)nc(-c2cccc(-c3cccc4c3oc3ccc(-c5ccccc5)cc34)c2)n1
InChIInChI=1S/C61H38N4O/c1-2-15-39(16-3-1)43-35-36-57-53(38-43)51-27-14-26-48(58(51)66-57)44-19-12-20-45(37-44)60-62-59(42-33-31-41(32-34-42)47-25-13-18-40-17-4-5-21-46(40)47)63-61(64-60)52-24-8-11-30-56(52)65-54-28-9-6-22-49(54)50-23-7-10-29-55(50)65/h1-38H/i6D,7D,9D,22D,23D,28D,29D
InChIKeySSJJWDKAQOYHRM-ZCMYVUPSSA-N
XLogP16.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.04
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
1,2,3,4,5,6,8-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
1,2,3,4,5,6,8-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-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130575
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
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
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130706
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130464
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-dibenzofuran-2-yl-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130679
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
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 177268193
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)nc(-c2cccc(-c3cccc4c3oc3ccc(-c5ccccc5)cc34)c2)n1.
What is the InChIKey of 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?
The InChIKey is SSJJWDKAQOYHRM-ZCMYVUPSSA-N. The full InChI is InChI=1S/C61H38N4O/c1-2-15-39(16-3-1)43-35-36-57-53(38-43)51-27-14-26-48(58(51)66-57)44-19-12-20-45(37-44)60-62-59(42-33-31-41(32-34-42)47-25-13-18-40-17-4-5-21-46(40)47)63-61(64-60)52-24-8-11-30-56(52)65-54-28-9-6-22-49(54)50-23-7-10-29-55(50)65/h1-38H/i6D,7D,9D,22D,23D,28D,29D.
What are the key properties of 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?
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 has a molecular weight of 850.04 g/mol, XLogP of 16.02, 7 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-[2-[4-(4-naphthalen-1-ylphenyl)-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177130618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).