2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol

C38H32N4O — CID 154589840

About 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol

2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol (PubChem CID 154589840) has the molecular formula C38H32N4O and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol.

Molecular Properties

• Compound Name: 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
• PubChem CID: 154589840
• Molecular Formula: C38H32N4O
• Molecular Weight: 560.70 g/mol
• Exact Mass: 560.26
• IUPAC Name: 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
• SMILES: CC(C)(C)c1ccnc(N(c2ccccc2)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5O)c4n3)c2)c1
• InChI: InChI=1S/C38H32N4O/c1-38(2,3)27-22-23-39-36(25-27)41(28-13-5-4-6-14-28)29-15-11-12-26(24-29)32-21-20-31-30-16-7-8-17-33(30)42(37(31)40-32)34-18-9-10-19-35(34)43/h4-25,43H,1-3H3
• InChIKey: JDTLNNRDFVCTEE-UHFFFAOYSA-N
• XLogP: 9.71
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.70
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol?

The IUPAC name of 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol (CID 154589840) is 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol.

What is the SMILES notation for 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol?

The canonical SMILES for 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol is CC(C)(C)c1ccnc(N(c2ccccc2)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5O)c4n3)c2)c1.

What is the InChIKey of 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol?

The InChIKey is JDTLNNRDFVCTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4O/c1-38(2,3)27-22-23-39-36(25-27)41(28-13-5-4-6-14-28)29-15-11-12-26(24-29)32-21-20-31-30-16-7-8-17-33(30)42(37(31)40-32)34-18-9-10-19-35(34)43/h4-25,43H,1-3H3.

What are the key properties of 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol?

2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol has a molecular weight of 560.70 g/mol, XLogP of 9.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol is sourced from PubChem (CID 154589840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).