1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole

C73H52N2 — CID 89218102

About 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole

1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole (PubChem CID 89218102) has the molecular formula C73H52N2 and a molecular weight of 957.23 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole.

Molecular Properties

• Compound Name: 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole
• PubChem CID: 89218102
• Molecular Formula: C73H52N2
• Molecular Weight: 957.23 g/mol
• Exact Mass: 956.41
• IUPAC Name: 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole
• SMILES: C1=CC(n2c(C3=CC(c4c5c(c(-c6cccc(-c7ccc8c(-c9ccc%10ccccc%10c9)c9ccccc9c(-c9ccc%10ccccc%10c9)c8c7)c6)c6ccccc46)CCC=C5)CC=C3)nc3ccccc32)=CCC1
• InChI: InChI=1S/C73H52N2/c1-2-26-58(27-3-1)75-68-35-15-14-34-67(68)74-73(75)57-25-17-24-54(45-57)70-61-30-10-8-28-59(61)69(60-29-9-11-31-62(60)70)53-23-16-22-51(44-53)52-40-41-65-66(46-52)72(56-39-37-48-19-5-7-21-50(48)43-56)64-33-13-12-32-63(64)71(65)55-38-36-47-18-4-6-20-49(47)42-55/h2,4-8,10-23,25-28,30-46,54H,1,3,9,24,29H2
• InChIKey: BYPXNMFBQSSHJN-UHFFFAOYSA-N
• XLogP: 19.75
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.23
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole?

The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole (CID 89218102) is 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole.

What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole?

The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole is C1=CC(n2c(C3=CC(c4c5c(c(-c6cccc(-c7ccc8c(-c9ccc%10ccccc%10c9)c9ccccc9c(-c9ccc%10ccccc%10c9)c8c7)c6)c6ccccc46)CCC=C5)CC=C3)nc3ccccc32)=CCC1.

What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole?

The InChIKey is BYPXNMFBQSSHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N2/c1-2-26-58(27-3-1)75-68-35-15-14-34-67(68)74-73(75)57-25-17-24-54(45-57)70-61-30-10-8-28-59(61)69(60-29-9-11-31-62(60)70)53-23-16-22-51(44-53)52-40-41-65-66(46-52)72(56-39-37-48-19-5-7-21-50(48)43-56)64-33-13-12-32-63(64)71(65)55-38-36-47-18-4-6-20-49(47)42-55/h2,4-8,10-23,25-28,30-46,54H,1,3,9,24,29H2.

What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole?

1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole has a molecular weight of 957.23 g/mol, XLogP of 19.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole is sourced from PubChem (CID 89218102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).