6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline

C59H41N5 — CID 146481026

About 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline

6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline (PubChem CID 146481026) has the molecular formula C59H41N5 and a molecular weight of 820.01 g/mol. Its IUPAC name is 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline.

Molecular Properties

• Compound Name: 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline
• PubChem CID: 146481026
• Molecular Formula: C59H41N5
• Molecular Weight: 820.01 g/mol
• Exact Mass: 819.34
• IUPAC Name: 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline
• SMILES: CC1CC=CC=C1c1nc2ccccc2c2c1c1ccccc1n2-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c3ccccc23)cc1
• InChI: InChI=1S/C59H41N5/c1-38-16-8-9-21-45(38)55-54-51-25-13-15-27-53(51)64(56(54)50-24-12-14-26-52(50)60-55)44-34-32-41(33-35-44)46-36-37-49(48-23-11-10-22-47(46)48)59-62-57(42-19-6-3-7-20-42)61-58(63-59)43-30-28-40(29-31-43)39-17-4-2-5-18-39/h2-15,17-38H,16H2,1H3
• InChIKey: DDYCJDLAMTXPGE-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.01
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline?

The IUPAC name of 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline (CID 146481026) is 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline.

What is the SMILES notation for 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline?

The canonical SMILES for 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline is CC1CC=CC=C1c1nc2ccccc2c2c1c1ccccc1n2-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c3ccccc23)cc1.

What is the InChIKey of 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline?

The InChIKey is DDYCJDLAMTXPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N5/c1-38-16-8-9-21-45(38)55-54-51-25-13-15-27-53(51)64(56(54)50-24-12-14-26-52(50)60-55)44-34-32-41(33-35-44)46-36-37-49(48-23-11-10-22-47(46)48)59-62-57(42-19-6-3-7-20-42)61-58(63-59)43-30-28-40(29-31-43)39-17-4-2-5-18-39/h2-15,17-38H,16H2,1H3.

What are the key properties of 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline?

6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline has a molecular weight of 820.01 g/mol, XLogP of 14.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline is sourced from PubChem (CID 146481026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).