1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole

C54H34N2O — CID 169011812

IUPAC1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3ccc(-c4ccccc4)cc3)c([2H])c([2H])c1n2-c1cccc2c1oc1ccccc12
InChIInChI=1S/C54H34N2O/c1-3-12-35(13-4-1)37-22-27-41(28-23-37)55-49-30-25-38(33-47(49)43-29-24-40(34-52(43)55)36-14-5-2-6-15-36)39-26-31-50-46(32-39)42-16-7-9-19-48(42)56(50)51-20-11-18-45-44-17-8-10-21-53(44)57-54(45)51/h1-34H/i7D,9D,16D,19D,26D,31D,32D
InChIKeyPOCALGUUZBMJSW-MCZBPNRZSA-N
MW733.92 g/mol
LogP14.78
Rot. Bonds5

About 1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole

1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 169011812) has the molecular formula C54H34N2O and a molecular weight of 733.92 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID169011812
Molecular FormulaC54H34N2O
Molecular Weight733.92 g/mol
Exact Mass733.31
IUPAC Name1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3ccc(-c4ccccc4)cc3)c([2H])c([2H])c1n2-c1cccc2c1oc1ccccc12
InChIInChI=1S/C54H34N2O/c1-3-12-35(13-4-1)37-22-27-41(28-23-37)55-49-30-25-38(33-47(49)43-29-24-40(34-52(43)55)36-14-5-2-6-15-36)39-26-31-50-46(32-39)42-16-7-9-19-48(42)56(50)51-20-11-18-45-44-17-8-10-21-53(44)57-54(45)51/h1-34H/i7D,9D,16D,19D,26D,31D,32D
InChIKeyPOCALGUUZBMJSW-MCZBPNRZSA-N
XLogP14.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.92
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
1,2,3,4,5,7,8-heptadeuterio-9-[4-(4-phenylphenyl)phenyl]-6-[6-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169011906
1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 169012283
2-[9-(2-phenyldibenzofuran-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167201110
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
9-dibenzofuran-4-yl-3-triphenylen-2-ylcarbazole;3-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(3-triphenylen-2-ylcarbazol-9-yl)carbazole;3-phenyl-9-(3-triphenylen-2-ylphenyl)carbazole;pentakis(prop-1-ene);9-(3-triphenylen-2-ylphenyl)carbazole
CID 159796899
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
1,2,3,4,5,7,8-heptadeuterio-9-(4-deuteriophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 172512017
1,2,3,4,5,7,8-heptadeuterio-9-(2-phenylphenyl)-6-[6-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169011849
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
3-(9-dibenzofuran-2-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-3-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-4-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-2-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-3-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-4-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole
CID 159023414
1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole
CID 170517994

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole (CID 169011812) is 1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3ccc(-c4ccccc4)cc3)c([2H])c([2H])c1n2-c1cccc2c1oc1ccccc12.
What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is POCALGUUZBMJSW-MCZBPNRZSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-12-35(13-4-1)37-22-27-41(28-23-37)55-49-30-25-38(33-47(49)43-29-24-40(34-52(43)55)36-14-5-2-6-15-36)39-26-31-50-46(32-39)42-16-7-9-19-48(42)56(50)51-20-11-18-45-44-17-8-10-21-53(44)57-54(45)51/h1-34H/i7D,9D,16D,19D,26D,31D,32D.
What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 733.92 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 169011812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).