N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine

C128H80N4O2 — CID 139544786

About N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine

N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine (PubChem CID 139544786) has the molecular formula C128H80N4O2 and a molecular weight of 1706.07 g/mol. Its IUPAC name is N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine
• PubChem CID: 139544786
• Molecular Formula: C128H80N4O2
• Molecular Weight: 1706.07 g/mol
• Exact Mass: 1704.63
• IUPAC Name: N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine
• SMILES: c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4cc(-c5ccc6cc(N(c7ccc(-c8ccccc8-c8ccccc8-n8c9ccccc9c9ccccc98)cc7)c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccccc7c6c5)cc5c4oc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c1
• InChI: InChI=1S/C128H80N4O2/c1-3-30-96(104-37-11-19-48-118(104)131-120-50-21-13-40-107(120)108-41-14-22-51-121(108)131)93(28-1)81-58-66-88(67-59-81)129(92-74-75-103-100-34-6-5-32-98(100)99-33-7-8-35-101(99)116(103)80-92)89-68-64-84(65-69-89)115-77-87(78-117-112-45-18-26-55-126(112)134-128(115)117)85-56-57-86-79-124(106-39-10-9-36-102(106)114(86)76-85)130(91-72-62-83(63-73-91)95-46-27-47-113-111-44-17-25-54-125(111)133-127(95)113)90-70-60-82(61-71-90)94-29-2-4-31-97(94)105-38-12-20-49-119(105)132-122-52-23-15-42-109(122)110-43-16-24-53-123(110)132/h1-80H
• InChIKey: YYXYGSIQCZXECS-UHFFFAOYSA-N
• XLogP: 36.05
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1706.07
LogP ≤ 5	36.05
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 N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine?

The IUPAC name of N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine (CID 139544786) is N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine.

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

The canonical SMILES for N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine is c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4cc(-c5ccc6cc(N(c7ccc(-c8ccccc8-c8ccccc8-n8c9ccccc9c9ccccc98)cc7)c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccccc7c6c5)cc5c4oc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c1.

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

The InChIKey is YYXYGSIQCZXECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H80N4O2/c1-3-30-96(104-37-11-19-48-118(104)131-120-50-21-13-40-107(120)108-41-14-22-51-121(108)131)93(28-1)81-58-66-88(67-59-81)129(92-74-75-103-100-34-6-5-32-98(100)99-33-7-8-35-101(99)116(103)80-92)89-68-64-84(65-69-89)115-77-87(78-117-112-45-18-26-55-126(112)134-128(115)117)85-56-57-86-79-124(106-39-10-9-36-102(106)114(86)76-85)130(91-72-62-83(63-73-91)95-46-27-47-113-111-44-17-25-54-125(111)133-127(95)113)90-70-60-82(61-71-90)94-29-2-4-31-97(94)105-38-12-20-49-119(105)132-122-52-23-15-42-109(122)110-43-16-24-53-123(110)132/h1-80H.

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

N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine has a molecular weight of 1706.07 g/mol, XLogP of 36.05, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)anilino]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]triphenylen-2-amine is sourced from PubChem (CID 139544786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).