1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine

C74H47N3O2 — CID 129175587

About 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine

1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine (PubChem CID 129175587) has the molecular formula C74H47N3O2 and a molecular weight of 1010.21 g/mol. Its IUPAC name is 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine.

Molecular Properties

• Compound Name: 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
• PubChem CID: 129175587
• Molecular Formula: C74H47N3O2
• Molecular Weight: 1010.21 g/mol
• Exact Mass: 1009.37
• IUPAC Name: 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)c5)ccc43)cc2)cc1
• InChI: InChI=1S/C74H47N3O2/c1-2-14-48(15-3-1)51-26-31-56(32-27-51)77-69-23-11-8-20-63(69)68-44-54(30-39-70(68)77)55-42-61(75(57-33-28-49-16-4-6-18-52(49)40-57)59-35-37-66-64-21-9-12-24-71(64)78-73(66)46-59)45-62(43-55)76(58-34-29-50-17-5-7-19-53(50)41-58)60-36-38-67-65-22-10-13-25-72(65)79-74(67)47-60/h1-47H
• InChIKey: XRZFQONJHRTLCX-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 37.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.21
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine?

The IUPAC name of 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine (CID 129175587) is 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine.

What is the SMILES notation for 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine?

The canonical SMILES for 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)c5)ccc43)cc2)cc1.

What is the InChIKey of 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine?

The InChIKey is XRZFQONJHRTLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47N3O2/c1-2-14-48(15-3-1)51-26-31-56(32-27-51)77-69-23-11-8-20-63(69)68-44-54(30-39-70(68)77)55-42-61(75(57-33-28-49-16-4-6-18-52(49)40-57)59-35-37-66-64-21-9-12-24-71(64)78-73(66)46-59)45-62(43-55)76(58-34-29-50-17-5-7-19-53(50)41-58)60-36-38-67-65-22-10-13-25-72(65)79-74(67)47-60/h1-47H.

What are the key properties of 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine?

1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine has a molecular weight of 1010.21 g/mol, XLogP of 21.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine is sourced from PubChem (CID 129175587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).