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

C122H78N4O2 — CID 167179678

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

N-[4-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 167179678) has the molecular formula C122H78N4O2 and a molecular weight of 1631.99 g/mol. Its IUPAC name is N-[4-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline
• PubChem CID: 167179678
• Molecular Formula: C122H78N4O2
• Molecular Weight: 1631.99 g/mol
• Exact Mass: 1630.61
• IUPAC Name: N-[4-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7cc8cc(-c9ccc(N(c%10ccc(-c%11cccc(-n%12c%13ccccc%13c%13ccccc%13%12)c%11)cc%10)c%10ccc(-c%11ccc%12c(c%11)oc%11ccccc%11%12)cc%10)cc9)ccc8c8ccccc78)ccc65)c4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C122H78N4O2/c1-2-20-79(21-3-1)80-40-42-86(43-41-80)102-26-6-12-34-114(102)124(98-66-52-85(53-67-98)91-56-70-111-109-33-11-17-39-120(109)128-122(111)78-91)97-64-50-82(51-65-97)88-23-19-25-100(74-88)126-117-37-15-9-31-107(117)113-75-92(57-71-118(113)126)112-76-93-72-89(54-68-101(93)103-27-4-5-28-104(103)112)83-46-60-95(61-47-83)123(96-62-48-84(49-63-96)90-55-69-110-108-32-10-16-38-119(108)127-121(110)77-90)94-58-44-81(45-59-94)87-22-18-24-99(73-87)125-115-35-13-7-29-105(115)106-30-8-14-36-116(106)125/h1-78H
• InChIKey: XDQBGYHKRFOVHZ-UHFFFAOYSA-N
• XLogP: 34.26
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1631.99
LogP ≤ 5	34.26
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-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline (CID 167179678) is N-[4-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline.

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

The canonical SMILES for N-[4-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7cc8cc(-c9ccc(N(c%10ccc(-c%11cccc(-n%12c%13ccccc%13c%13ccccc%13%12)c%11)cc%10)c%10ccc(-c%11ccc%12c(c%11)oc%11ccccc%11%12)cc%10)cc9)ccc8c8ccccc78)ccc65)c4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1.

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

The InChIKey is XDQBGYHKRFOVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H78N4O2/c1-2-20-79(21-3-1)80-40-42-86(43-41-80)102-26-6-12-34-114(102)124(98-66-52-85(53-67-98)91-56-70-111-109-33-11-17-39-120(109)128-122(111)78-91)97-64-50-82(51-65-97)88-23-19-25-100(74-88)126-117-37-15-9-31-107(117)113-75-92(57-71-118(113)126)112-76-93-72-89(54-68-101(93)103-27-4-5-28-104(103)112)83-46-60-95(61-47-83)123(96-62-48-84(49-63-96)90-55-69-110-108-32-10-16-38-119(108)127-121(110)77-90)94-58-44-81(45-59-94)87-22-18-24-99(73-87)125-115-35-13-7-29-105(115)106-30-8-14-36-116(106)125/h1-78H.

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

N-[4-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 1631.99 g/mol, XLogP of 34.26, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 167179678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).