N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine

C162H108N4OS — CID 161048389

About N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine (PubChem CID 161048389) has the molecular formula C162H108N4OS and a molecular weight of 2158.74 g/mol. Its IUPAC name is N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 161048389
• Molecular Formula: C162H108N4OS
• Molecular Weight: 2158.74 g/mol
• Exact Mass: 2156.82
• IUPAC Name: N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine
• SMILES: Cc1cc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)cc2)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C.c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)c6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C82H56N2S.C80H52N2O/c1-53-50-62(43-46-64(53)65-47-44-63(51-54(65)2)84(59-20-4-3-5-21-59)80-32-16-19-56-18-6-7-22-67(56)80)83(60-39-34-55(35-40-60)58-38-45-75-72-27-11-10-25-70(72)71-26-12-13-28-73(71)79(75)52-58)61-41-36-57(37-42-61)66-48-49-74(69-24-9-8-23-68(66)69)77-30-17-31-78-76-29-14-15-33-81(76)85-82(77)78;1-2-18-59(19-3-1)82(78-30-14-17-56-16-4-5-20-65(56)78)63-45-34-54(35-46-63)53-32-41-60(42-33-53)81(61-43-36-55(37-44-61)58-40-49-73-70-25-9-8-23-68(70)69-24-10-11-26-71(69)77(73)52-58)62-47-38-57(39-48-62)64-50-51-72(67-22-7-6-21-66(64)67)75-28-15-29-76-74-27-12-13-31-79(74)83-80(75)76/h3-52H,1-2H3;1-52H
• InChIKey: UBUOKLRGYAKJET-UHFFFAOYSA-N
• XLogP: 47.00
• TPSA: 26.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2158.74
LogP ≤ 5	47.00
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-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine (CID 161048389) is N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine is Cc1cc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)cc2)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C.c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)c6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is UBUOKLRGYAKJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2S.C80H52N2O/c1-53-50-62(43-46-64(53)65-47-44-63(51-54(65)2)84(59-20-4-3-5-21-59)80-32-16-19-56-18-6-7-22-67(56)80)83(60-39-34-55(35-40-60)58-38-45-75-72-27-11-10-25-70(72)71-26-12-13-28-73(71)79(75)52-58)61-41-36-57(37-42-61)66-48-49-74(69-24-9-8-23-68(66)69)77-30-17-31-78-76-29-14-15-33-81(76)85-82(77)78;1-2-18-59(19-3-1)82(78-30-14-17-56-16-4-5-20-65(56)78)63-45-34-54(35-46-63)53-32-41-60(42-33-53)81(61-43-36-55(37-44-61)58-40-49-73-70-25-9-8-23-68(70)69-24-10-11-26-71(69)77(73)52-58)62-47-38-57(39-48-62)64-50-51-72(67-22-7-6-21-66(64)67)75-28-15-29-76-74-27-12-13-31-79(74)83-80(75)76/h3-52H,1-2H3;1-52H.

What are the key properties of N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine?

N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 2158.74 g/mol, XLogP of 47.00, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 161048389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).