N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine

C108H68N4O2 — CID 139544399

About N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine

N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine (PubChem CID 139544399) has the molecular formula C108H68N4O2 and a molecular weight of 1453.76 g/mol. Its IUPAC name is N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine.

Molecular Properties

• Compound Name: N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine
• PubChem CID: 139544399
• Molecular Formula: C108H68N4O2
• Molecular Weight: 1453.76 g/mol
• Exact Mass: 1452.53
• IUPAC Name: N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine
• SMILES: c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3ccc4ccccc4c3c2)c(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6-c6ccccc6N(c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6cccc7ccccc67)c5c4)cc32)c1
• InChI: InChI=1S/C108H68N4O2/c1-3-27-79-70(25-1)50-51-73-56-63-78(68-95(73)79)109(76-59-52-71(53-60-76)81-37-22-39-93-91-35-11-19-48-105(91)113-107(81)93)97-41-13-5-29-83(97)85-31-7-15-43-99(85)111-101-45-17-9-33-87(101)89-64-57-74(66-103(89)111)75-58-65-90-88-34-10-18-46-102(88)112(104(90)67-75)100-44-16-8-32-86(100)84-30-6-14-42-98(84)110(96-47-21-26-69-24-2-4-28-80(69)96)77-61-54-72(55-62-77)82-38-23-40-94-92-36-12-20-49-106(92)114-108(82)94/h1-68H
• InChIKey: MXOXNCNYZWNSBO-UHFFFAOYSA-N
• XLogP: 30.41
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1453.76
LogP ≤ 5	30.41
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-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine?

The IUPAC name of N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine (CID 139544399) is N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine.

What is the SMILES notation for N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine?

The canonical SMILES for N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine is c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3ccc4ccccc4c3c2)c(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6-c6ccccc6N(c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6cccc7ccccc67)c5c4)cc32)c1.

What is the InChIKey of N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine?

The InChIKey is MXOXNCNYZWNSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H68N4O2/c1-3-27-79-70(25-1)50-51-73-56-63-78(68-95(73)79)109(76-59-52-71(53-60-76)81-37-22-39-93-91-35-11-19-48-105(91)113-107(81)93)97-41-13-5-29-83(97)85-31-7-15-43-99(85)111-101-45-17-9-33-87(101)89-64-57-74(66-103(89)111)75-58-65-90-88-34-10-18-46-102(88)112(104(90)67-75)100-44-16-8-32-86(100)84-30-6-14-42-98(84)110(96-47-21-26-69-24-2-4-28-80(69)96)77-61-54-72(55-62-77)82-38-23-40-94-92-36-12-20-49-106(92)114-108(82)94/h1-68H.

What are the key properties of N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine?

N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine has a molecular weight of 1453.76 g/mol, XLogP of 30.41, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[9-[2-[2-(4-dibenzofuran-4-yl-N-naphthalen-1-ylanilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine is sourced from PubChem (CID 139544399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).