9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

C64H52N4O — CID 171595727

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 171595727) has the molecular formula C64H52N4O and a molecular weight of 893.15 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 171595727
• Molecular Formula: C64H52N4O
• Molecular Weight: 893.15 g/mol
• Exact Mass: 892.41
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: Cc1ccc2c(c1)C1c3c(cc(C)cc3N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)c4)c4ccccc43)C2C2c3ccccc3C1c1ccccc12
• InChI: InChI=1S/C64H52N4O/c1-38-25-27-50-51(31-38)63-60-48-20-8-6-18-46(48)59(47-19-7-9-21-49(47)60)61(50)52-32-39(2)33-57(62(52)63)67-37-66(54-23-12-13-24-55(54)67)41-15-14-16-42(35-41)69-43-26-28-45-44-17-10-11-22-53(44)68(56(45)36-43)58-34-40(29-30-65-58)64(3,4)5/h6-36,59-61,63H,37H2,1-5H3
• InChIKey: SURHAYQDROCGCI-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.15
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 171595727) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is Cc1ccc2c(c1)C1c3c(cc(C)cc3N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)c4)c4ccccc43)C2C2c3ccccc3C1c1ccccc12.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The InChIKey is SURHAYQDROCGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N4O/c1-38-25-27-50-51(31-38)63-60-48-20-8-6-18-46(48)59(47-19-7-9-21-49(47)60)61(50)52-32-39(2)33-57(62(52)63)67-37-66(54-23-12-13-24-55(54)67)41-15-14-16-42(35-41)69-43-26-28-45-44-17-10-11-22-53(44)68(56(45)36-43)58-34-40(29-30-65-58)64(3,4)5/h6-36,59-61,63H,37H2,1-5H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 893.15 g/mol, XLogP of 16.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(6,26-dimethyl-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23(28),24,26-dodecaenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 171595727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).