5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole

C42H28N2O — CID 170285798

IUPAC5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole
SMILESC1=CCC(c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c3oc4ccccc4c3c2)C=C1
InChIInChI=1S/C42H28N2O/c1-3-13-27(14-4-1)28-23-35-32-19-9-12-22-41(32)45-42(35)40(24-28)44-37-21-11-8-18-31(37)34-25-33-30-17-7-10-20-36(30)43(38(33)26-39(34)44)29-15-5-2-6-16-29/h1-13,15-27H,14H2
InChIKeySSGKLQVMXBGVNE-UHFFFAOYSA-N
MW576.70 g/mol
LogP11.38
Rot. Bonds3

About 5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole

5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 170285798) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole
PubChem CID170285798
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole
SMILESC1=CCC(c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c3oc4ccccc4c3c2)C=C1
InChIInChI=1S/C42H28N2O/c1-3-13-27(14-4-1)28-23-35-32-19-9-12-22-41(32)45-42(35)40(24-28)44-37-21-11-8-18-31(37)34-25-33-30-17-7-10-20-36(30)43(38(33)26-39(34)44)29-15-5-2-6-16-29/h1-13,15-27H,14H2
InChIKeySSGKLQVMXBGVNE-UHFFFAOYSA-N
XLogP11.38
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane
CID 144723930
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
2-[9-(2-phenyldibenzofuran-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167201110
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 134438469
3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole
CID 123198502
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
3-[9-(2-naphthalen-1-yldibenzofuran-4-yl)carbazol-2-yl]-9-phenylcarbazole
CID 167200561
4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167201246

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole (CID 170285798) is 5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole is C1=CCC(c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c3oc4ccccc4c3c2)C=C1.
What is the InChIKey of 5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is SSGKLQVMXBGVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-3-13-27(14-4-1)28-23-35-32-19-9-12-22-41(32)45-42(35)40(24-28)44-37-21-11-8-18-31(37)34-25-33-30-17-7-10-20-36(30)43(38(33)26-39(34)44)29-15-5-2-6-16-29/h1-13,15-27H,14H2.
What are the key properties of 5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole?
5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole has a molecular weight of 576.70 g/mol, XLogP of 11.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 170285798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).