3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline

C124H78N4O2 — CID 139544391

About 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline

3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline (PubChem CID 139544391) has the molecular formula C124H78N4O2 and a molecular weight of 1656.01 g/mol. Its IUPAC name is 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline
• PubChem CID: 139544391
• Molecular Formula: C124H78N4O2
• Molecular Weight: 1656.01 g/mol
• Exact Mass: 1654.61
• IUPAC Name: 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline
• SMILES: c1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(N(c2cccc(-c3cc4ccccc4c4cc(-c5cccc6c5oc5c(-c7cccc(N(c8ccc(-c9ccc%10c(ccc%11ccccc%11%10)c9)cc8)c8cccc(-c9ccccc9-n9c%10ccccc%10c%10ccccc%109)c8)c7)cccc56)ccc34)c2)c2cccc(-c3cccc4c3oc3ccccc34)c2)c1
• InChI: InChI=1S/C124H78N4O2/c1-3-39-96-80(27-1)61-62-88-71-81(65-69-98(88)96)79-63-67-90(68-64-79)125(91-34-19-29-82(72-91)99-41-5-12-54-115(99)127-117-56-14-7-43-105(117)106-44-8-15-57-118(106)127)92-35-21-32-85(74-92)102-49-25-52-111-112-53-26-50-103(124(112)130-123(102)111)89-66-70-104-113(77-87-28-2-4-40-97(87)114(104)78-89)86-33-23-38-95(76-86)126(94-37-22-31-84(75-94)101-48-24-51-110-109-47-11-18-60-121(109)129-122(101)110)93-36-20-30-83(73-93)100-42-6-13-55-116(100)128-119-58-16-9-45-107(119)108-46-10-17-59-120(108)128/h1-78H
• InChIKey: DTNGEQNBRSPKKF-UHFFFAOYSA-N
• XLogP: 34.90
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1656.01
LogP ≤ 5	34.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline?

The IUPAC name of 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline (CID 139544391) is 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline.

What is the SMILES notation for 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline?

The canonical SMILES for 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline is c1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(N(c2cccc(-c3cc4ccccc4c4cc(-c5cccc6c5oc5c(-c7cccc(N(c8ccc(-c9ccc%10c(ccc%11ccccc%11%10)c9)cc8)c8cccc(-c9ccccc9-n9c%10ccccc%10c%10ccccc%109)c8)c7)cccc56)ccc34)c2)c2cccc(-c3cccc4c3oc3ccccc34)c2)c1.

What is the InChIKey of 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline?

The InChIKey is DTNGEQNBRSPKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H78N4O2/c1-3-39-96-80(27-1)61-62-88-71-81(65-69-98(88)96)79-63-67-90(68-64-79)125(91-34-19-29-82(72-91)99-41-5-12-54-115(99)127-117-56-14-7-43-105(117)106-44-8-15-57-118(106)127)92-35-21-32-85(74-92)102-49-25-52-111-112-53-26-50-103(124(112)130-123(102)111)89-66-70-104-113(77-87-28-2-4-40-97(87)114(104)78-89)86-33-23-38-95(76-86)126(94-37-22-31-84(75-94)101-48-24-51-110-109-47-11-18-60-121(109)129-122(101)110)93-36-20-30-83(73-93)100-42-6-13-55-116(100)128-119-58-16-9-45-107(119)108-46-10-17-59-120(108)128/h1-78H.

What are the key properties of 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline?

3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline has a molecular weight of 1656.01 g/mol, XLogP of 34.90, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline is sourced from PubChem (CID 139544391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).