3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole

C62H56N2 — CID 89364405

IUPAC3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole
SMILESCc1c2c(c(C3=CC4=CC=C(c5c6c(c(C7=CC8=CC=C(C9Nc%10ccccc%10N9C9C=CC=CC9)CC8CC7)c7ccccc57)=CCCC=6)CC4CC3)c3ccccc13)=CCCC=2
InChIInChI=1S/C62H56N2/c1-39-49-17-5-7-19-51(49)59(52-20-8-6-18-50(39)52)44-31-27-41-36-45(32-28-40(41)35-44)60-53-21-9-11-23-55(53)61(56-24-12-10-22-54(56)60)46-33-29-43-38-47(34-30-42(43)37-46)62-63-57-25-13-14-26-58(57)64(62)48-15-3-2-4-16-48/h2-5,7,9,11,13-15,17-26,28,30,32,34-35,37,41,43,48,62-63H,6,8,10,12,16,27,29,31,33,36,38H2,1H3
InChIKeyAXHPDKOGTXJIEH-UHFFFAOYSA-N
MW829.14 g/mol
LogP12.41
Rot. Bonds5

About 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole

3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole (PubChem CID 89364405) has the molecular formula C62H56N2 and a molecular weight of 829.14 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole
PubChem CID89364405
Molecular FormulaC62H56N2
Molecular Weight829.14 g/mol
Exact Mass828.44
IUPAC Name3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole
SMILESCc1c2c(c(C3=CC4=CC=C(c5c6c(c(C7=CC8=CC=C(C9Nc%10ccccc%10N9C9C=CC=CC9)CC8CC7)c7ccccc57)=CCCC=6)CC4CC3)c3ccccc13)=CCCC=2
InChIInChI=1S/C62H56N2/c1-39-49-17-5-7-19-51(49)59(52-20-8-6-18-50(39)52)44-31-27-41-36-45(32-28-40(41)35-44)60-53-21-9-11-23-55(53)61(56-24-12-10-22-54(56)60)46-33-29-43-38-47(34-30-42(43)37-46)62-63-57-25-13-14-26-58(57)64(62)48-15-3-2-4-16-48/h2-5,7,9,11,13-15,17-26,28,30,32,34-35,37,41,43,48,62-63H,6,8,10,12,16,27,29,31,33,36,38H2,1H3
InChIKeyAXHPDKOGTXJIEH-UHFFFAOYSA-N
XLogP12.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.14
LogP ≤ 512.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole with MolForge

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Related Compounds

9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
CID 123175612
9-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-10-(6,7-dihydronaphthalen-1-yl)anthracene
CID 123406834
3-(9-cyclohexa-2,4-dien-1-yl-4,4a,4b,8a-tetrahydrocarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155238326
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
3-[4-[10-cyclohexa-1,3-dien-1-yl-2-(cyclohexen-1-yl)anthracen-9-yl]cyclohexa-1,3-dien-1-yl]-2-(4-methylcyclohexen-1-yl)-1,2-dihydrobenzimidazole
CID 166686618
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
9-(4a,8a-dihydronaphthalen-1-yl)-10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracene
CID 123320771
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-3-phenyl-1,2-dihydrobenzimidazole;ethane
CID 143688496
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
(10-methyl-2,3-dihydroanthracen-9-yl)alumane
CID 149013478
9-(4-methylcyclohexa-1,5-dien-1-yl)-10-(6-methylcyclohex-3-en-1-yl)-2,3-dihydroanthracene
CID 163953607
9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene
CID 123176490

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole?
The IUPAC name of 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole (CID 89364405) is 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole is Cc1c2c(c(C3=CC4=CC=C(c5c6c(c(C7=CC8=CC=C(C9Nc%10ccccc%10N9C9C=CC=CC9)CC8CC7)c7ccccc57)=CCCC=6)CC4CC3)c3ccccc13)=CCCC=2.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole?
The InChIKey is AXHPDKOGTXJIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N2/c1-39-49-17-5-7-19-51(49)59(52-20-8-6-18-50(39)52)44-31-27-41-36-45(32-28-40(41)35-44)60-53-21-9-11-23-55(53)61(56-24-12-10-22-54(56)60)46-33-29-43-38-47(34-30-42(43)37-46)62-63-57-25-13-14-26-58(57)64(62)48-15-3-2-4-16-48/h2-5,7,9,11,13-15,17-26,28,30,32,34-35,37,41,43,48,62-63H,6,8,10,12,16,27,29,31,33,36,38H2,1H3.
What are the key properties of 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole?
3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole has a molecular weight of 829.14 g/mol, XLogP of 12.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole is sourced from PubChem (CID 89364405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).