3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline

C124H78N4O2 — CID 155398070

About 3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline

3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline (PubChem CID 155398070) has the molecular formula C124H78N4O2 and a molecular weight of 1656.01 g/mol. Its IUPAC name is 3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline.

Molecular Properties

• Compound Name: 3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
• PubChem CID: 155398070
• Molecular Formula: C124H78N4O2
• Molecular Weight: 1656.01 g/mol
• Exact Mass: 1654.61
• IUPAC Name: 3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
• SMILES: c1cc(-c2cc3ccccc3c3ccc(-c4ccc5c(c4)oc4cccc(-c6cccc(N(c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7)c7ccc(-c8cc9ccccc9c9ccccc89)cc7)c6)c45)cc23)cc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)c1
• InChI: InChI=1S/C124H78N4O2/c1-3-30-99-89(22-1)76-112(104-33-6-5-32-103(99)104)83-56-68-92(69-57-83)125(91-60-48-79(49-61-91)81-52-64-94(65-53-81)127-115-41-12-7-34-106(115)107-35-8-13-42-116(107)127)96-27-17-24-86(72-96)102-40-21-47-121-124(102)111-71-59-85(78-122(111)130-121)84-58-70-105-100-31-4-2-23-90(100)77-113(114(105)75-84)88-26-19-29-98(74-88)126(97-28-18-25-87(73-97)101-39-20-46-120-123(101)110-38-11-16-45-119(110)129-120)93-62-50-80(51-63-93)82-54-66-95(67-55-82)128-117-43-14-9-36-108(117)109-37-10-15-44-118(109)128/h1-78H
• InChIKey: PJNJIPMDQBBDKX-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-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline?

The IUPAC name of 3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline (CID 155398070) is 3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline.

What is the SMILES notation for 3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline?

The canonical SMILES for 3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline is c1cc(-c2cc3ccccc3c3ccc(-c4ccc5c(c4)oc4cccc(-c6cccc(N(c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7)c7ccc(-c8cc9ccccc9c9ccccc89)cc7)c6)c45)cc23)cc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)c1.

What is the InChIKey of 3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline?

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

What are the key properties of 3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline?

3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-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-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline is sourced from PubChem (CID 155398070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).