12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine

C75H50N2 — CID 155791018

About 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine

12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine (PubChem CID 155791018) has the molecular formula C75H50N2 and a molecular weight of 979.24 g/mol. Its IUPAC name is 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine.

Molecular Properties

• Compound Name: 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine
• PubChem CID: 155791018
• Molecular Formula: C75H50N2
• Molecular Weight: 979.24 g/mol
• Exact Mass: 978.40
• IUPAC Name: 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine
• SMILES: CC1(C)c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccc4c5ccc(-c6ccc7ccccc7c6)cc5c5ccccc5c4c3)cc2N(c2cccc(-c3ccccc3)c2)c2ccc3ccccc3c21
• InChI: InChI=1S/C75H50N2/c1-75(2)68-37-30-56(45-72(68)77(71-40-32-50-19-9-11-24-60(50)74(71)75)57-22-14-21-52(42-57)47-15-4-3-5-16-47)55-33-38-69-67(44-55)73-59-23-10-8-18-49(59)31-39-70(73)76(69)58-34-36-64-63-35-29-54(53-28-27-48-17-6-7-20-51(48)41-53)43-65(63)61-25-12-13-26-62(61)66(64)46-58/h3-46H,1-2H3
• InChIKey: OEQJREOVIPSDAC-UHFFFAOYSA-N
• XLogP: 20.81
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.24
LogP ≤ 5	20.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine?

The IUPAC name of 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine (CID 155791018) is 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine.

What is the SMILES notation for 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine?

The canonical SMILES for 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine is CC1(C)c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccc4c5ccc(-c6ccc7ccccc7c6)cc5c5ccccc5c4c3)cc2N(c2cccc(-c3ccccc3)c2)c2ccc3ccccc3c21.

What is the InChIKey of 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine?

The InChIKey is OEQJREOVIPSDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N2/c1-75(2)68-37-30-56(45-72(68)77(71-40-32-50-19-9-11-24-60(50)74(71)75)57-22-14-21-52(42-57)47-15-4-3-5-16-47)55-33-38-69-67(44-55)73-59-23-10-8-18-49(59)31-39-70(73)76(69)58-34-36-64-63-35-29-54(53-28-27-48-17-6-7-20-51(48)41-53)43-65(63)61-25-12-13-26-62(61)66(64)46-58/h3-46H,1-2H3.

What are the key properties of 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine?

12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine has a molecular weight of 979.24 g/mol, XLogP of 20.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine is sourced from PubChem (CID 155791018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).