N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

C66H42N2O2 — CID 168804997

About N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (PubChem CID 168804997) has the molecular formula C66H42N2O2 and a molecular weight of 895.07 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
• PubChem CID: 168804997
• Molecular Formula: C66H42N2O2
• Molecular Weight: 895.07 g/mol
• Exact Mass: 894.32
• IUPAC Name: N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
• SMILES: c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)cc23)cc1
• InChI: InChI=1S/C66H42N2O2/c1-3-12-46(13-4-1)54-18-11-19-58-60-41-48(30-39-64(60)70-66(54)58)44-24-33-52(34-25-44)67(53-35-26-45(27-36-53)49-28-37-57-56-17-8-10-21-63(56)69-65(57)42-49)51-31-22-43(23-32-51)47-29-38-62-59(40-47)55-16-7-9-20-61(55)68(62)50-14-5-2-6-15-50/h1-42H
• InChIKey: JKZIRXGLCBXBRJ-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.07
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?

The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (CID 168804997) is N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.

What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?

The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)cc23)cc1.

What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?

The InChIKey is JKZIRXGLCBXBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O2/c1-3-12-46(13-4-1)54-18-11-19-58-60-41-48(30-39-64(60)70-66(54)58)44-24-33-52(34-25-44)67(53-35-26-45(27-36-53)49-28-37-57-56-17-8-10-21-63(56)69-65(57)42-49)51-31-22-43(23-32-51)47-29-38-62-59(40-47)55-16-7-9-20-61(55)68(62)50-14-5-2-6-15-50/h1-42H.

What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?

N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline has a molecular weight of 895.07 g/mol, XLogP of 18.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is sourced from PubChem (CID 168804997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).