2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol

C62H57N3O — CID 170676777

About 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol

2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol (PubChem CID 170676777) has the molecular formula C62H57N3O and a molecular weight of 860.16 g/mol. Its IUPAC name is 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
• PubChem CID: 170676777
• Molecular Formula: C62H57N3O
• Molecular Weight: 860.16 g/mol
• Exact Mass: 859.45
• IUPAC Name: 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc(-c5cccc6c7ccccc7n(-c7ccc8cccc(C(C)(C)C)c8c7)c56)ccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C62H57N3O/c1-60(2,3)45-32-43(33-46(37-45)61(4,5)6)44-35-55(64-56(36-44)51-21-11-13-26-58(51)66)42-19-14-18-41(31-42)54-34-40(29-30-63-54)48-22-16-23-50-49-20-10-12-25-57(49)65(59(48)50)47-28-27-39-17-15-24-53(52(39)38-47)62(7,8)9/h10-38,66H,1-9H3
• InChIKey: CTVMPFUMEJUUEN-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.16
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

The IUPAC name of 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol (CID 170676777) is 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol.

What is the SMILES notation for 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

The canonical SMILES for 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol is CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc(-c5cccc6c7ccccc7n(-c7ccc8cccc(C(C)(C)C)c8c7)c56)ccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.

What is the InChIKey of 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

The InChIKey is CTVMPFUMEJUUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H57N3O/c1-60(2,3)45-32-43(33-46(37-45)61(4,5)6)44-35-55(64-56(36-44)51-21-11-13-26-58(51)66)42-19-14-18-41(31-42)54-34-40(29-30-63-54)48-22-16-23-50-49-20-10-12-25-57(49)65(59(48)50)47-28-27-39-17-15-24-53(52(39)38-47)62(7,8)9/h10-38,66H,1-9H3.

What are the key properties of 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol has a molecular weight of 860.16 g/mol, XLogP of 16.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 170676777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).