2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole

C44H39NO — CID 166037085

IUPAC2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)c2c1
InChIInChI=1S/C44H39NO/c1-43(2,3)28-22-24-33-34-25-23-29(44(4,5)6)27-39(34)45(38(33)26-28)37-19-11-9-16-32(37)30-14-7-8-15-31(30)35-18-13-21-41-42(35)36-17-10-12-20-40(36)46-41/h7-27H,1-6H3
InChIKeyJNWKLACJWOBTIF-UHFFFAOYSA-N
MW597.80 g/mol
LogP12.61
Rot. Bonds3

About 2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole

2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole (PubChem CID 166037085) has the molecular formula C44H39NO and a molecular weight of 597.80 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole
PubChem CID166037085
Molecular FormulaC44H39NO
Molecular Weight597.80 g/mol
Exact Mass597.30
IUPAC Name2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)c2c1
InChIInChI=1S/C44H39NO/c1-43(2,3)28-22-24-33-34-25-23-29(44(4,5)6)27-39(34)45(38(33)26-28)37-19-11-9-16-32(37)30-14-7-8-15-31(30)35-18-13-21-41-42(35)36-17-10-12-20-40(36)46-41/h7-27H,1-6H3
InChIKeyJNWKLACJWOBTIF-UHFFFAOYSA-N
XLogP12.61
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.80
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155628069
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266
9-(2-dibenzofuran-1-yl-5-methylphenyl)carbazole
CID 126596660
4-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166510148
2,7-ditert-butyl-9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155232686
1-(3,6-ditert-butylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765359
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453
N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-[3-[4-[9-[2-[4-(2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]anilino)phenyl]phenyl]carbazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 155398276
5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474903
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)-2-phenylcarbazole
CID 148764046
9-[2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 170192949
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole?
The IUPAC name of 2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole (CID 166037085) is 2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole?
The canonical SMILES for 2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole is CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)c2c1.
What is the InChIKey of 2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole?
The InChIKey is JNWKLACJWOBTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39NO/c1-43(2,3)28-22-24-33-34-25-23-29(44(4,5)6)27-39(34)45(38(33)26-28)37-19-11-9-16-32(37)30-14-7-8-15-31(30)35-18-13-21-41-42(35)36-17-10-12-20-40(36)46-41/h7-27H,1-6H3.
What are the key properties of 2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole?
2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole has a molecular weight of 597.80 g/mol, XLogP of 12.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-[2-(2-dibenzofuran-1-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 166037085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).