4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine

C62H69ClN2 — CID 138744505

IUPAC4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4Cl)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)C3)cc2)c1
InChIInChI=1S/C62H69ClN2/c1-59(2,3)47-25-27-51(54(36-47)40-17-21-42(22-18-40)57-38-49(29-31-64-57)61(7,8)9)44-33-45(35-46(34-44)53-15-13-14-16-56(53)63)52-28-26-48(60(4,5)6)37-55(52)41-19-23-43(24-20-41)58-39-50(30-32-65-58)62(10,11)12/h13-32,36-39,44-46H,33-35H2,1-12H3
InChIKeyYKNKDDTZQMJJLQ-UHFFFAOYSA-N
MW877.70 g/mol
LogP17.82
Rot. Bonds7

About 4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine

4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine (PubChem CID 138744505) has the molecular formula C62H69ClN2 and a molecular weight of 877.70 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine
PubChem CID138744505
Molecular FormulaC62H69ClN2
Molecular Weight877.70 g/mol
Exact Mass876.51
IUPAC Name4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4Cl)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)C3)cc2)c1
InChIInChI=1S/C62H69ClN2/c1-59(2,3)47-25-27-51(54(36-47)40-17-21-42(22-18-40)57-38-49(29-31-64-57)61(7,8)9)44-33-45(35-46(34-44)53-15-13-14-16-56(53)63)52-28-26-48(60(4,5)6)37-55(52)41-19-23-43(24-20-41)58-39-50(30-32-65-58)62(10,11)12/h13-32,36-39,44-46H,33-35H2,1-12H3
InChIKeyYKNKDDTZQMJJLQ-UHFFFAOYSA-N
XLogP17.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.70
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine?
The IUPAC name of 4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine (CID 138744505) is 4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine is CC(C)(C)c1ccnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4Cl)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)C3)cc2)c1.
What is the InChIKey of 4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine?
The InChIKey is YKNKDDTZQMJJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H69ClN2/c1-59(2,3)47-25-27-51(54(36-47)40-17-21-42(22-18-40)57-38-49(29-31-64-57)61(7,8)9)44-33-45(35-46(34-44)53-15-13-14-16-56(53)63)52-28-26-48(60(4,5)6)37-55(52)41-19-23-43(24-20-41)58-39-50(30-32-65-58)62(10,11)12/h13-32,36-39,44-46H,33-35H2,1-12H3.
What are the key properties of 4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine?
4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine has a molecular weight of 877.70 g/mol, XLogP of 17.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 138744505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).