2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C50H46N4O — CID 167415537

About 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 167415537) has the molecular formula C50H46N4O and a molecular weight of 718.95 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 167415537
• Molecular Formula: C50H46N4O
• Molecular Weight: 718.95 g/mol
• Exact Mass: 718.37
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5NC(c6ccc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C50H46N4O/c1-49(2,3)34-23-25-41(43(29-34)33-15-8-7-9-16-33)48-42-20-11-13-22-45(42)54(52-48)36-17-14-18-37(31-36)55-38-24-26-40-39-19-10-12-21-44(39)53(46(40)32-38)47-30-35(27-28-51-47)50(4,5)6/h7-32,48,52H,1-6H3
• InChIKey: URSQXVIHEMVEKD-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 42.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.95
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 167415537) is 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5NC(c6ccc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)cc32)c1.

What is the InChIKey of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is URSQXVIHEMVEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N4O/c1-49(2,3)34-23-25-41(43(29-34)33-15-8-7-9-16-33)48-42-20-11-13-22-45(42)54(52-48)36-17-14-18-37(31-36)55-38-24-26-40-39-19-10-12-21-44(39)53(46(40)32-38)47-30-35(27-28-51-47)50(4,5)6/h7-32,48,52H,1-6H3.

What are the key properties of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 718.95 g/mol, XLogP of 12.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2,3-dihydroindazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 167415537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).