2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline

C58H46N6 — CID 146332485

IUPAC2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline
SMILESC1=CCC(c2nc3ccccc3n2C2=CC=C(c3nc(C4C=CC(N5c6ccccc6NC5c5ccccc5)=CC4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4n3)CC2)C=C1
InChIInChI=1S/C58H46N6/c1-5-17-39(18-6-1)45-37-48(40-19-7-2-8-20-40)55-49(38-45)54(41-29-33-46(34-30-41)63-52-27-15-13-25-50(52)59-57(63)43-21-9-3-10-22-43)61-56(62-55)42-31-35-47(36-32-42)64-53-28-16-14-26-51(53)60-58(64)44-23-11-4-12-24-44/h1-23,25-29,31,33-35,37-38,41,44,57,59H,24,30,32,36H2
InChIKeyYHKISDXEXHWMBP-UHFFFAOYSA-N
MW827.05 g/mol
LogP14.19
Rot. Bonds8

About 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline

2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline (PubChem CID 146332485) has the molecular formula C58H46N6 and a molecular weight of 827.05 g/mol. Its IUPAC name is 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline.

Molecular Properties

Compound Name2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline
PubChem CID146332485
Molecular FormulaC58H46N6
Molecular Weight827.05 g/mol
Exact Mass826.38
IUPAC Name2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline
SMILESC1=CCC(c2nc3ccccc3n2C2=CC=C(c3nc(C4C=CC(N5c6ccccc6NC5c5ccccc5)=CC4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4n3)CC2)C=C1
InChIInChI=1S/C58H46N6/c1-5-17-39(18-6-1)45-37-48(40-19-7-2-8-20-40)55-49(38-45)54(41-29-33-46(34-30-41)63-52-27-15-13-25-50(52)59-57(63)43-21-9-3-10-22-43)61-56(62-55)42-31-35-47(36-32-42)64-53-28-16-14-26-51(53)60-58(64)44-23-11-4-12-24-44/h1-23,25-29,31,33-35,37-38,41,44,57,59H,24,30,32,36H2
InChIKeyYHKISDXEXHWMBP-UHFFFAOYSA-N
XLogP14.19
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.05
LogP ≤ 514.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline with MolForge

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Related Compounds

2-(4-cyclohexa-2,4-dien-1-ylphenyl)-3-phenyl-1,2-dihydrobenzimidazole;ethane
CID 143688496
2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
CID 153271176
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole
CID 167072509
5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-12-[4-(2,6-diphenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]-[1]benzofuro[2,3-a]carbazole
CID 156510324
4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline
CID 122424894
4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline
CID 146332167
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 167401664
2-[9-[(1R)-cyclohexa-2,4-dien-1-yl]-10-(4-phenylphenyl)anthracen-2-yl]-1-phenylbenzimidazole
CID 155064850
4-cyclohexa-2,4-dien-1-yl-2,8,10-triphenylpyrimido[4,5-f]quinazoline
CID 126706834
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole
CID 70920417
5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 175629003
2-[4-[10-[(1S)-2-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl]-9-(2-phenylphenyl)-4a,10-dihydroanthracen-2-yl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 167282120

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline?
The IUPAC name of 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline (CID 146332485) is 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline.
What is the SMILES notation for 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline?
The canonical SMILES for 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline is C1=CCC(c2nc3ccccc3n2C2=CC=C(c3nc(C4C=CC(N5c6ccccc6NC5c5ccccc5)=CC4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4n3)CC2)C=C1.
What is the InChIKey of 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline?
The InChIKey is YHKISDXEXHWMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N6/c1-5-17-39(18-6-1)45-37-48(40-19-7-2-8-20-40)55-49(38-45)54(41-29-33-46(34-30-41)63-52-27-15-13-25-50(52)59-57(63)43-21-9-3-10-22-43)61-56(62-55)42-31-35-47(36-32-42)64-53-28-16-14-26-51(53)60-58(64)44-23-11-4-12-24-44/h1-23,25-29,31,33-35,37-38,41,44,57,59H,24,30,32,36H2.
What are the key properties of 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline?
2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline has a molecular weight of 827.05 g/mol, XLogP of 14.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclohexa-2,4-dien-1-ylbenzimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-6,8-diphenyl-4-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)cyclohexa-2,4-dien-1-yl]quinazoline is sourced from PubChem (CID 146332485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).