2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C73H59N11O — CID 176783069

About 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 176783069) has the molecular formula C73H59N11O and a molecular weight of 1106.35 g/mol. Its IUPAC name is 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 176783069
• Molecular Formula: C73H59N11O
• Molecular Weight: 1106.35 g/mol
• Exact Mass: 1105.49
• IUPAC Name: 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc(C(C)(C)C)cc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6cccnc65)c4)cc32)c1
• InChI: InChI=1S/C73H59N11O/c1-72(2,3)51-38-40-74-63(43-51)84-60-34-20-19-33-56(60)57-37-36-55(45-62(57)84)85-54-32-21-31-53(44-54)82-46-83(61-35-22-39-75-71(61)82)64-58(69-78-65(47-23-11-7-12-24-47)76-66(79-69)48-25-13-8-14-26-48)41-52(73(4,5)6)42-59(64)70-80-67(49-27-15-9-16-28-49)77-68(81-70)50-29-17-10-18-30-50/h7-45H,46H2,1-6H3
• InChIKey: OUEAFNVPDLNROP-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 123.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1106.35
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 176783069) is 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc(C(C)(C)C)cc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6cccnc65)c4)cc32)c1.

What is the InChIKey of 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is OUEAFNVPDLNROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H59N11O/c1-72(2,3)51-38-40-74-63(43-51)84-60-34-20-19-33-56(60)57-37-36-55(45-62(57)84)85-54-32-21-31-53(44-54)82-46-83(61-35-22-39-75-71(61)82)64-58(69-78-65(47-23-11-7-12-24-47)76-66(79-69)48-25-13-8-14-26-48)41-52(73(4,5)6)42-59(64)70-80-67(49-27-15-9-16-28-49)77-68(81-70)50-29-17-10-18-30-50/h7-45H,46H2,1-6H3.

What are the key properties of 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 1106.35 g/mol, XLogP of 17.58, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 176783069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).