6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

C54H32N2O2 — CID 155444186

IUPAC6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
SMILESO=c1c2ccccc2ccc2cc(-c3ccc4c5ccccc5n(-n5c6ccccc6c6ccc(-c7ccc8c(=O)c9ccccc9ccc8c7)cc65)c4c3)ccc12
InChIInChI=1S/C54H32N2O2/c57-53-41-11-3-1-9-33(41)17-19-39-29-35(21-25-43(39)53)37-23-27-47-45-13-5-7-15-49(45)55(51(47)31-37)56-50-16-8-6-14-46(50)48-28-24-38(32-52(48)56)36-22-26-44-40(30-36)20-18-34-10-2-4-12-42(34)54(44)58/h1-32H
InChIKeyXLISMZVGWSSQAT-UHFFFAOYSA-N
MW740.86 g/mol
LogP12.88
Rot. Bonds3

About 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one (PubChem CID 155444186) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.

Molecular Properties

Compound Name6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
PubChem CID155444186
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
SMILESO=c1c2ccccc2ccc2cc(-c3ccc4c5ccccc5n(-n5c6ccccc6c6ccc(-c7ccc8c(=O)c9ccccc9ccc8c7)cc65)c4c3)ccc12
InChIInChI=1S/C54H32N2O2/c57-53-41-11-3-1-9-33(41)17-19-39-29-35(21-25-43(39)53)37-23-27-47-45-13-5-7-15-49(45)55(51(47)31-37)56-50-16-8-6-14-46(50)48-28-24-38(32-52(48)56)36-22-26-44-40(30-36)20-18-34-10-2-4-12-42(34)54(44)58/h1-32H
InChIKeyXLISMZVGWSSQAT-UHFFFAOYSA-N
XLogP12.88
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one with MolForge

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Related Compounds

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CID 90738367
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CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
7-methyl-10-(11-methylbenzo[a]carbazol-3-yl)benzo[c]carbazole
CID 134240713
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole
CID 134507293
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724

Frequently Asked Questions

What is the IUPAC name of 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The IUPAC name of 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one (CID 155444186) is 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.
What is the SMILES notation for 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The canonical SMILES for 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one is O=c1c2ccccc2ccc2cc(-c3ccc4c5ccccc5n(-n5c6ccccc6c6ccc(-c7ccc8c(=O)c9ccccc9ccc8c7)cc65)c4c3)ccc12.
What is the InChIKey of 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The InChIKey is XLISMZVGWSSQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c57-53-41-11-3-1-9-33(41)17-19-39-29-35(21-25-43(39)53)37-23-27-47-45-13-5-7-15-49(45)55(51(47)31-37)56-50-16-8-6-14-46(50)48-28-24-38(32-52(48)56)36-22-26-44-40(30-36)20-18-34-10-2-4-12-42(34)54(44)58/h1-32H.
What are the key properties of 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one has a molecular weight of 740.86 g/mol, XLogP of 12.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)carbazol-9-yl]carbazol-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one is sourced from PubChem (CID 155444186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).