8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline

C62H37N5OS — CID 154954919

About 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline

8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline (PubChem CID 154954919) has the molecular formula C62H37N5OS and a molecular weight of 900.08 g/mol. Its IUPAC name is 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline.

Molecular Properties

• Compound Name: 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline
• PubChem CID: 154954919
• Molecular Formula: C62H37N5OS
• Molecular Weight: 900.08 g/mol
• Exact Mass: 899.27
• IUPAC Name: 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cc(-c5cc(-c6ccccc6)c6ccc7cc[nH]c7c6n5)cc(-c5cccc6oc7ccccc7c56)c4)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
• InChI: InChI=1S/C62H37N5OS/c1-3-12-38(13-4-1)51-36-52(64-59-49(51)29-26-39-30-31-63-58(39)59)45-33-43(32-44(34-45)46-18-11-20-54-57(46)50-17-7-9-19-53(50)68-54)37-22-24-41(25-23-37)61-65-60(40-14-5-2-6-15-40)66-62(67-61)42-27-28-48-47-16-8-10-21-55(47)69-56(48)35-42/h1-36,63H
• InChIKey: XJHJHOGYQCTLGV-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.08
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline?

The IUPAC name of 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline (CID 154954919) is 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline.

What is the SMILES notation for 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline?

The canonical SMILES for 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline is c1ccc(-c2nc(-c3ccc(-c4cc(-c5cc(-c6ccccc6)c6ccc7cc[nH]c7c6n5)cc(-c5cccc6oc7ccccc7c56)c4)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.

What is the InChIKey of 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline?

The InChIKey is XJHJHOGYQCTLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N5OS/c1-3-12-38(13-4-1)51-36-52(64-59-49(51)29-26-39-30-31-63-58(39)59)45-33-43(32-44(34-45)46-18-11-20-54-57(46)50-17-7-9-19-53(50)68-54)37-22-24-41(25-23-37)61-65-60(40-14-5-2-6-15-40)66-62(67-61)42-27-28-48-47-16-8-10-21-55(47)69-56(48)35-42/h1-36,63H.

What are the key properties of 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline?

8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline has a molecular weight of 900.08 g/mol, XLogP of 16.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-dibenzofuran-1-yl-5-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1H-pyrrolo[3,2-h]quinoline is sourced from PubChem (CID 154954919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).