7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole

C60H36N2O3 — CID 145141021

IUPAC7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILESC1=CCC(n2c3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7cc9c(cc7n8-c7ccccc7)oc7ccccc79)cc6c5c4)cc3c3cc4c(cc32)oc2ccccc24)C=C1
InChIInChI=1S/C60H36N2O3/c1-3-11-39(12-4-1)61-51-23-19-35(27-43(51)45-31-49-41-15-7-9-17-55(41)64-59(49)33-53(45)61)37-21-25-57-47(29-37)48-30-38(22-26-58(48)63-57)36-20-24-52-44(28-36)46-32-50-42-16-8-10-18-56(42)65-60(50)34-54(46)62(52)40-13-5-2-6-14-40/h1-13,15-34,40H,14H2
InChIKeyFIYICQVDYLAVST-UHFFFAOYSA-N
MW832.96 g/mol
LogP16.98
Rot. Bonds4

About 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole

7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 145141021) has the molecular formula C60H36N2O3 and a molecular weight of 832.96 g/mol. Its IUPAC name is 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID145141021
Molecular FormulaC60H36N2O3
Molecular Weight832.96 g/mol
Exact Mass832.27
IUPAC Name7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILESC1=CCC(n2c3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7cc9c(cc7n8-c7ccccc7)oc7ccccc79)cc6c5c4)cc3c3cc4c(cc32)oc2ccccc24)C=C1
InChIInChI=1S/C60H36N2O3/c1-3-11-39(12-4-1)61-51-23-19-35(27-43(51)45-31-49-41-15-7-9-17-55(41)64-59(49)33-53(45)61)37-21-25-57-47(29-37)48-30-38(22-26-58(48)63-57)36-20-24-52-44(28-36)46-32-50-42-16-8-10-18-56(42)65-60(50)34-54(46)62(52)40-13-5-2-6-14-40/h1-13,15-34,40H,14H2
InChIKeyFIYICQVDYLAVST-UHFFFAOYSA-N
XLogP16.98
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.96
LogP ≤ 516.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole
CID 145140935
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 88529559
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 134223333

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole (CID 145141021) is 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole is C1=CCC(n2c3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7cc9c(cc7n8-c7ccccc7)oc7ccccc79)cc6c5c4)cc3c3cc4c(cc32)oc2ccccc24)C=C1.
What is the InChIKey of 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is FIYICQVDYLAVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O3/c1-3-11-39(12-4-1)61-51-23-19-35(27-43(51)45-31-49-41-15-7-9-17-55(41)64-59(49)33-53(45)61)37-21-25-57-47(29-37)48-30-38(22-26-58(48)63-57)36-20-24-52-44(28-36)46-32-50-42-16-8-10-18-56(42)65-60(50)34-54(46)62(52)40-13-5-2-6-14-40/h1-13,15-34,40H,14H2.
What are the key properties of 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole?
7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 832.96 g/mol, XLogP of 16.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 145141021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).