2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole

C₆₅H₇₀N₂O — CID 175868728

About 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole

2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole (PubChem CID 175868728) has the molecular formula C₆₅H₇₀N₂O and a molecular weight of 895.29 g/mol. Its IUPAC name is 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole
• PubChem CID: 175868728
• Molecular Formula: C₆₅H₇₀N₂O
• Molecular Weight: 895.29 g/mol
• Exact Mass: 894.55
• IUPAC Name: 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole
• SMILES: CC(C)c1cc(C(C)C)c(-c2cc(Oc3ccc4c5ccccc5n(-c5cc(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)ccn5)c4c3)cc(C3C=CC=C(c4ccccc4)C3)c2)c(C(C)C)c1
• InChI: InChI=1S/C65H70N2O/c1-39(2)49-33-57(41(5)6)64(58(34-49)42(7)8)48-27-28-66-63(37-48)67-61-24-17-16-23-55(61)56-26-25-53(38-62(56)67)68-54-31-51(47-22-18-21-46(29-47)45-19-14-13-15-20-45)30-52(32-54)65-59(43(9)10)35-50(40(3)4)36-60(65)44(11)12/h13-28,30-44,47H,29H2,1-12H3
• InChIKey: JEKVCKYYNCTKCN-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.29
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole?

The IUPAC name of 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole (CID 175868728) is 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole.

What is the SMILES notation for 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole?

The canonical SMILES for 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole is CC(C)c1cc(C(C)C)c(-c2cc(Oc3ccc4c5ccccc5n(-c5cc(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)ccn5)c4c3)cc(C3C=CC=C(c4ccccc4)C3)c2)c(C(C)C)c1.

What is the InChIKey of 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole?

The InChIKey is JEKVCKYYNCTKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H70N2O/c1-39(2)49-33-57(41(5)6)64(58(34-49)42(7)8)48-27-28-66-63(37-48)67-61-24-17-16-23-55(61)56-26-25-53(38-62(56)67)68-54-31-51(47-22-18-21-46(29-47)45-19-14-13-15-20-45)30-52(32-54)65-59(43(9)10)35-50(40(3)4)36-60(65)44(11)12/h13-28,30-44,47H,29H2,1-12H3.

What are the key properties of 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole?

2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole has a molecular weight of 895.29 g/mol, XLogP of 19.17, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-phenylcyclohexa-2,4-dien-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 175868728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175868728 — identifiers, structure, computed properties (public domain)

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