3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole

C41H28N2O — CID 123494702

IUPAC3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESC=c1oc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cccc2c1=CC
InChIInChI=1S/C41H28N2O/c1-3-30-26(2)44-41-33(30)16-11-19-40(41)43-37-18-10-8-15-32(37)35-25-28(21-23-39(35)43)27-20-22-38-34(24-27)31-14-7-9-17-36(31)42(38)29-12-5-4-6-13-29/h3-25H,2H2,1H3
InChIKeyKHNLSHZZKDXGLA-UHFFFAOYSA-N
MW564.69 g/mol
LogP9.50
Rot. Bonds3

About 3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 123494702) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is 3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID123494702
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC Name3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESC=c1oc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cccc2c1=CC
InChIInChI=1S/C41H28N2O/c1-3-30-26(2)44-41-33(30)16-11-19-40(41)43-37-18-10-8-15-32(37)35-25-28(21-23-39(35)43)27-20-22-38-34(24-27)31-14-7-9-17-36(31)42(38)29-12-5-4-6-13-29/h3-25H,2H2,1H3
InChIKeyKHNLSHZZKDXGLA-UHFFFAOYSA-N
XLogP9.50
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 59.50
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
6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 165374648
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
3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane
CID 144723930
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072359
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 142314963
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
(3Z)-penta-1,3-diene;3-(9-phenylcarbazol-3-yl)-9-[2-(3-phenylphenyl)phenyl]carbazole
CID 142314955

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole (CID 123494702) is 3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole is C=c1oc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cccc2c1=CC.
What is the InChIKey of 3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is KHNLSHZZKDXGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-3-30-26(2)44-41-33(30)16-11-19-40(41)43-37-18-10-8-15-32(37)35-25-28(21-23-39(35)43)27-20-22-38-34(24-27)31-14-7-9-17-36(31)42(38)29-12-5-4-6-13-29/h3-25H,2H2,1H3.
What are the key properties of 3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 564.69 g/mol, XLogP of 9.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 123494702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).