4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine

C260H178N12 — CID 160725263

About 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine

4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine (PubChem CID 160725263) has the molecular formula C260H178N12 and a molecular weight of 3470.37 g/mol. Its IUPAC name is 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
• PubChem CID: 160725263
• Molecular Formula: C260H178N12
• Molecular Weight: 3470.37 g/mol
• Exact Mass: 3467.43
• IUPAC Name: 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
• SMILES: c1ccc(N(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)c2ccc3ccccc3c2)cc1.c1ccc2cc(N(c3ccc(N(c4ccc(-c5ccc(N(c6ccc(N(c7ccc8ccccc8c7)c7cc8ccccc8c8ccccc78)cc6)c6cc7ccccc7c7ccccc67)cc5)cc4)c4cc5ccccc5c5ccccc45)cc3)c3cc4ccccc4c4ccccc34)ccc2c1
• InChI: InChI=1S/C100H66N4.C84H58N4.C76H54N4/c1-3-23-71-61-83(51-45-67(71)21-1)103(99-65-75-27-7-11-31-87(75)91-35-15-19-39-95(91)99)81-57-53-79(54-58-81)101(97-63-73-25-5-9-29-85(73)89-33-13-17-37-93(89)97)77-47-41-69(42-48-77)70-43-49-78(50-44-70)102(98-64-74-26-6-10-30-86(74)90-34-14-18-38-94(90)98)80-55-59-82(60-56-80)104(84-52-46-68-22-2-4-24-72(68)62-84)100-66-76-28-8-12-32-88(76)92-36-16-20-40-96(92)100;1-3-27-65(28-4-1)87(83-57-63-23-9-11-31-73(63)77-35-15-17-37-79(77)83)71-53-49-69(50-54-71)85(81-39-19-25-61-21-7-13-33-75(61)81)67-45-41-59(42-46-67)60-43-47-68(48-44-60)86(82-40-20-26-62-22-8-14-34-76(62)82)70-51-55-72(56-52-70)88(66-29-5-2-6-30-66)84-58-64-24-10-12-32-74(64)78-36-16-18-38-80(78)84;1-3-25-63(26-4-1)77(71-43-37-55-17-7-9-21-61(55)53-71)65-45-49-69(50-46-65)79(75-31-15-23-59-19-11-13-29-73(59)75)67-39-33-57(34-40-67)58-35-41-68(42-36-58)80(76-32-16-24-60-20-12-14-30-74(60)76)70-51-47-66(48-52-70)78(64-27-5-2-6-28-64)72-44-38-56-18-8-10-22-62(56)54-72/h1-66H;1-58H;1-54H
• InChIKey: RTPWJKHQFLQQQF-UHFFFAOYSA-N
• XLogP: 74.76
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 39
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3470.37
LogP ≤ 5	74.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine?

The IUPAC name of 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine (CID 160725263) is 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine.

What is the SMILES notation for 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine?

The canonical SMILES for 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine is c1ccc(N(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)c2ccc3ccccc3c2)cc1.c1ccc2cc(N(c3ccc(N(c4ccc(-c5ccc(N(c6ccc(N(c7ccc8ccccc8c7)c7cc8ccccc8c8ccccc78)cc6)c6cc7ccccc7c7ccccc67)cc5)cc4)c4cc5ccccc5c5ccccc45)cc3)c3cc4ccccc4c4ccccc34)ccc2c1.

What is the InChIKey of 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine?

The InChIKey is RTPWJKHQFLQQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H66N4.C84H58N4.C76H54N4/c1-3-23-71-61-83(51-45-67(71)21-1)103(99-65-75-27-7-11-31-87(75)91-35-15-19-39-95(91)99)81-57-53-79(54-58-81)101(97-63-73-25-5-9-29-85(73)89-33-13-17-37-93(89)97)77-47-41-69(42-48-77)70-43-49-78(50-44-70)102(98-64-74-26-6-10-30-86(74)90-34-14-18-38-94(90)98)80-55-59-82(60-56-80)104(84-52-46-68-22-2-4-24-72(68)62-84)100-66-76-28-8-12-32-88(76)92-36-16-20-40-96(92)100;1-3-27-65(28-4-1)87(83-57-63-23-9-11-31-73(63)77-35-15-17-37-79(77)83)71-53-49-69(50-54-71)85(81-39-19-25-61-21-7-13-33-75(61)81)67-45-41-59(42-46-67)60-43-47-68(48-44-60)86(82-40-20-26-62-22-8-14-34-76(62)82)70-51-55-72(56-52-70)88(66-29-5-2-6-30-66)84-58-64-24-10-12-32-74(64)78-36-16-18-38-80(78)84;1-3-25-63(26-4-1)77(71-43-37-55-17-7-9-21-61(55)53-71)65-45-49-69(50-46-65)79(75-31-15-23-59-19-11-13-29-73(59)75)67-39-33-57(34-40-67)58-35-41-68(42-36-58)80(76-32-16-24-60-20-12-14-30-74(60)76)70-51-47-66(48-52-70)78(64-27-5-2-6-28-64)72-44-38-56-18-8-10-22-62(56)54-72/h1-66H;1-58H;1-54H.

What are the key properties of 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine?

4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine has a molecular weight of 3470.37 g/mol, XLogP of 74.76, 39 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 160725263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).