4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+)

C56H50N3O4Rb — CID 171729783

About 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+)

4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+) (PubChem CID 171729783) has the molecular formula C56H50N3O4Rb and a molecular weight of 914.50 g/mol. Its IUPAC name is 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+).

Molecular Properties

• Compound Name: 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+)
• PubChem CID: 171729783
• Molecular Formula: C56H50N3O4Rb
• Molecular Weight: 914.50 g/mol
• Exact Mass: 913.29
• IUPAC Name: 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+)
• SMILES: C[CH-]CCn1c2cc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)ccc2c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc21.[Rb+]
• InChI: InChI=1S/C56H50N3O4.Rb/c1-6-7-36-57-55-37-41(39-8-14-43(15-9-39)58(45-18-26-49(60-2)27-19-45)46-20-28-50(61-3)29-21-46)12-34-53(55)54-35-13-42(38-56(54)57)40-10-16-44(17-11-40)59(47-22-30-51(62-4)31-23-47)48-24-32-52(63-5)33-25-48;/h6,8-35,37-38H,7,36H2,1-5H3;/q-1;+1
• InChIKey: OUODDLAIALNVCV-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 48.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.50
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+)?

The IUPAC name of 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+) (CID 171729783) is 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+).

What is the SMILES notation for 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+)?

The canonical SMILES for 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+) is C[CH-]CCn1c2cc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)ccc2c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc21.[Rb+].

What is the InChIKey of 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+)?

The InChIKey is OUODDLAIALNVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N3O4.Rb/c1-6-7-36-57-55-37-41(39-8-14-43(15-9-39)58(45-18-26-49(60-2)27-19-45)46-20-28-50(61-3)29-21-46)12-34-53(55)54-35-13-42(38-56(54)57)40-10-16-44(17-11-40)59(47-22-30-51(62-4)31-23-47)48-24-32-52(63-5)33-25-48;/h6,8-35,37-38H,7,36H2,1-5H3;/q-1;+1.

What are the key properties of 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+)?

4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+) has a molecular weight of 914.50 g/mol, XLogP of 11.72, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-butyl-7-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline;rubidium(1+) is sourced from PubChem (CID 171729783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).