2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C174H132N8 — CID 158670928

About 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 158670928) has the molecular formula C174H132N8 and a molecular weight of 2335.03 g/mol. Its IUPAC name is 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 158670928
• Molecular Formula: C174H132N8
• Molecular Weight: 2335.03 g/mol
• Exact Mass: 2333.06
• IUPAC Name: 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc3c(c2)Cc2ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc2C3)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cc3)c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C76H62N4.C54H38N2.C44H32N2/c1-5-21-55(22-6-1)77(56-23-7-2-8-24-56)59-33-37-61(38-34-59)79(65-45-47-69-67-29-13-15-31-71(67)75(73(69)53-65)49-17-18-50-75)63-41-43-64(44-42-63)80(66-46-48-70-68-30-14-16-32-72(68)76(74(70)54-66)51-19-20-52-76)62-39-35-60(36-40-62)78(57-25-9-3-10-26-57)58-27-11-4-12-28-58;1-3-17-43(18-4-1)55(53-35-39-15-7-9-21-47(39)49-23-11-13-25-51(49)53)45-29-27-37-32-42-34-46(30-28-38(42)31-41(37)33-45)56(44-19-5-2-6-20-44)54-36-40-16-8-10-22-48(40)50-24-12-14-26-52(50)54;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-16,21-48,53-54H,17-20,49-52H2;1-30,33-36H,31-32H2;1-32H
• InChIKey: IDYBKPVVTINGPL-UHFFFAOYSA-N
• XLogP: 48.58
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2335.03
LogP ≤ 5	48.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 158670928) is 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc3c(c2)Cc2ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc2C3)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cc3)c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)cc2)cc1.

What is the InChIKey of 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is IDYBKPVVTINGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H62N4.C54H38N2.C44H32N2/c1-5-21-55(22-6-1)77(56-23-7-2-8-24-56)59-33-37-61(38-34-59)79(65-45-47-69-67-29-13-15-31-71(67)75(73(69)53-65)49-17-18-50-75)63-41-43-64(44-42-63)80(66-46-48-70-68-30-14-16-32-72(68)76(74(70)54-66)51-19-20-52-76)62-39-35-60(36-40-62)78(57-25-9-3-10-26-57)58-27-11-4-12-28-58;1-3-17-43(18-4-1)55(53-35-39-15-7-9-21-47(39)49-23-11-13-25-51(49)53)45-29-27-37-32-42-34-46(30-28-38(42)31-41(37)33-45)56(44-19-5-2-6-20-44)54-36-40-16-8-10-22-48(40)50-24-12-14-26-52(50)54;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-16,21-48,53-54H,17-20,49-52H2;1-30,33-36H,31-32H2;1-32H.

What are the key properties of 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?

2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 2335.03 g/mol, XLogP of 48.58, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 158670928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).