11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

C92H64N4 — CID 144979754

IUPAC11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5nc(C6=CC=CCC6)cc(C6C=CC=CC6)n5)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)ccc4n(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3cc21
InChIInChI=1S/C92H64N4/c1-91(2)78-38-19-15-37-71(78)74-54-77-76-53-63(42-46-85(76)95(87(77)55-82(74)91)67-33-23-32-61(51-67)66-49-64(57-24-7-3-8-25-57)48-65(50-66)58-26-9-4-10-27-58)62-43-47-86-75(52-62)73-45-44-72-70-36-18-22-41-81(70)92(79-39-20-16-34-68(79)69-35-17-21-40-80(69)92)88(72)89(73)96(86)90-93-83(59-28-11-5-12-29-59)56-84(94-90)60-30-13-6-14-31-60/h3-13,15-28,30,32-56,59H,14,29,31H2,1-2H3
InChIKeyPXGUSENQONBVNJ-UHFFFAOYSA-N
MW1225.55 g/mol
LogP23.32
Rot. Bonds8

About 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (PubChem CID 144979754) has the molecular formula C92H64N4 and a molecular weight of 1225.55 g/mol. Its IUPAC name is 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole].

Molecular Properties

Compound Name11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
PubChem CID144979754
Molecular FormulaC92H64N4
Molecular Weight1225.55 g/mol
Exact Mass1224.51
IUPAC Name11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5nc(C6=CC=CCC6)cc(C6C=CC=CC6)n5)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)ccc4n(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3cc21
InChIInChI=1S/C92H64N4/c1-91(2)78-38-19-15-37-71(78)74-54-77-76-53-63(42-46-85(76)95(87(77)55-82(74)91)67-33-23-32-61(51-67)66-49-64(57-24-7-3-8-25-57)48-65(50-66)58-26-9-4-10-27-58)62-43-47-86-75(52-62)73-45-44-72-70-36-18-22-41-81(70)92(79-39-20-16-34-68(79)69-35-17-21-40-80(69)92)88(72)89(73)96(86)90-93-83(59-28-11-5-12-29-59)56-84(94-90)60-30-13-6-14-31-60/h3-13,15-28,30,32-56,59H,14,29,31H2,1-2H3
InChIKeyPXGUSENQONBVNJ-UHFFFAOYSA-N
XLogP23.32
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.55
LogP ≤ 523.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] with MolForge

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Related Compounds

5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134237084
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277
8',11'-bis(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331815
5-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121465317
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-[3-(3,5-diphenylphenyl)phenyl]carbazole
CID 158897511
5-[9-(3-cyclohexa-1,3-dien-1-ylphenyl)carbazol-1-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 129136291
9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole
CID 134237011
2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 90226957
11-(3-carbazol-9-ylphenyl)-12-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 134240128

Frequently Asked Questions

What is the IUPAC name of 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The IUPAC name of 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (CID 144979754) is 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole].
What is the SMILES notation for 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The canonical SMILES for 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5nc(C6=CC=CCC6)cc(C6C=CC=CC6)n5)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)ccc4n(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3cc21.
What is the InChIKey of 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The InChIKey is PXGUSENQONBVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H64N4/c1-91(2)78-38-19-15-37-71(78)74-54-77-76-53-63(42-46-85(76)95(87(77)55-82(74)91)67-33-23-32-61(51-67)66-49-64(57-24-7-3-8-25-57)48-65(50-66)58-26-9-4-10-27-58)62-43-47-86-75(52-62)73-45-44-72-70-36-18-22-41-81(70)92(79-39-20-16-34-68(79)69-35-17-21-40-80(69)92)88(72)89(73)96(86)90-93-83(59-28-11-5-12-29-59)56-84(94-90)60-30-13-6-14-31-60/h3-13,15-28,30,32-56,59H,14,29,31H2,1-2H3.
What are the key properties of 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] has a molecular weight of 1225.55 g/mol, XLogP of 23.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-ylpyrimidin-2-yl)-8'-[5-[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is sourced from PubChem (CID 144979754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).