6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole

C69H38ClN5O3 — CID 142568681

About 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole

6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole (PubChem CID 142568681) has the molecular formula C69H38ClN5O3 and a molecular weight of 1020.55 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole.

Molecular Properties

• Compound Name: 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole
• PubChem CID: 142568681
• Molecular Formula: C69H38ClN5O3
• Molecular Weight: 1020.55 g/mol
• Exact Mass: 1019.27
• IUPAC Name: 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole
• SMILES: Clc1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2cc(-c4cccc5c4oc4c(-c6cccc(-c7cccc8c7[nH]c7ccc(-n9c%10ccccc%10c%10ccccc%109)cc78)c6)cccc45)ccc23)n1
• InChI: InChI=1S/C69H38ClN5O3/c70-69-73-67(41-26-30-50-49-15-3-6-24-60(49)76-62(50)35-41)72-68(74-69)42-27-31-52-51-29-25-40(34-61(51)77-63(52)36-42)46-18-10-21-55-54-20-9-17-45(65(54)78-66(46)55)39-12-7-11-38(33-39)44-16-8-19-53-56-37-43(28-32-57(56)71-64(44)53)75-58-22-4-1-13-47(58)48-14-2-5-23-59(48)75/h1-37,71H
• InChIKey: RWFUYBKLOWQWLA-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 98.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.55
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole?

The IUPAC name of 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole (CID 142568681) is 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole.

What is the SMILES notation for 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole?

The canonical SMILES for 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole is Clc1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2cc(-c4cccc5c4oc4c(-c6cccc(-c7cccc8c7[nH]c7ccc(-n9c%10ccccc%10c%10ccccc%109)cc78)c6)cccc45)ccc23)n1.

What is the InChIKey of 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole?

The InChIKey is RWFUYBKLOWQWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H38ClN5O3/c70-69-73-67(41-26-30-50-49-15-3-6-24-60(49)76-62(50)35-41)72-68(74-69)42-27-31-52-51-29-25-40(34-61(51)77-63(52)36-42)46-18-10-21-55-54-20-9-17-45(65(54)78-66(46)55)39-12-7-11-38(33-39)44-16-8-19-53-56-37-43(28-32-57(56)71-64(44)53)75-58-22-4-1-13-47(58)48-14-2-5-23-59(48)75/h1-37,71H.

What are the key properties of 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole?

6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole has a molecular weight of 1020.55 g/mol, XLogP of 19.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole is sourced from PubChem (CID 142568681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).