2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine

C218H153N9 — CID 158290526

About 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine

2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine (PubChem CID 158290526) has the molecular formula C218H153N9 and a molecular weight of 2898.68 g/mol. Its IUPAC name is 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
• PubChem CID: 158290526
• Molecular Formula: C218H153N9
• Molecular Weight: 2898.68 g/mol
• Exact Mass: 2896.22
• IUPAC Name: 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(ccc8cc(N(c9ccccc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc87)c6)ccc54)c3)cc21.c1ccc(-c2ccc(N(c3ccc4c(ccc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc54)c3)c3ccc4c(ccc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc54)c3)cc2)cc1.c1ccc(N(c2ccc3c(ccc4cc(N(c5ccc6c(ccc7cc(N(c8ccccc8)c8cccc9ccccc89)ccc76)c5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C76H57N3.C72H49N3.C70H47N3/c1-75(2)71-26-16-14-24-67(71)69-42-36-61(48-73(69)75)78(55-20-10-6-11-21-55)59-34-40-65-52(46-59)30-28-50-44-57(32-38-63(50)65)77(54-18-8-5-9-19-54)58-33-39-64-51(45-58)29-31-53-47-60(35-41-66(53)64)79(56-22-12-7-13-23-56)62-37-43-70-68-25-15-17-27-72(68)76(3,4)74(70)49-62;1-4-16-50(17-5-1)51-34-36-60(37-35-51)73(61-38-42-65-54(46-61)30-32-56-48-63(40-44-67(56)65)74(58-22-6-2-7-23-58)71-28-14-20-52-18-10-12-26-69(52)71)62-39-43-66-55(47-62)31-33-57-49-64(41-45-68(57)66)75(59-24-8-3-9-25-59)72-29-15-21-53-19-11-13-27-70(53)72;1-3-22-55(23-4-1)71(68-29-13-19-48-16-7-10-26-65(48)68)57-36-40-61-51(44-57)32-34-53-46-59(38-42-63(53)61)73(70-31-15-21-50-18-9-12-28-67(50)70)60-39-43-64-54(47-60)35-33-52-45-58(37-41-62(52)64)72(56-24-5-2-6-25-56)69-30-14-20-49-17-8-11-27-66(49)69/h5-49H,1-4H3;1-49H;1-47H
• InChIKey: GLHHUHJIXHPVHK-UHFFFAOYSA-N
• XLogP: 62.17
• TPSA: 29.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 28
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2898.68
LogP ≤ 5	62.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine?

The IUPAC name of 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine (CID 158290526) is 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine.

What is the SMILES notation for 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine?

The canonical SMILES for 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(ccc8cc(N(c9ccccc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc87)c6)ccc54)c3)cc21.c1ccc(-c2ccc(N(c3ccc4c(ccc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc54)c3)c3ccc4c(ccc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc54)c3)cc2)cc1.c1ccc(N(c2ccc3c(ccc4cc(N(c5ccc6c(ccc7cc(N(c8ccccc8)c8cccc9ccccc89)ccc76)c5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)cc1.

What is the InChIKey of 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine?

The InChIKey is GLHHUHJIXHPVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H57N3.C72H49N3.C70H47N3/c1-75(2)71-26-16-14-24-67(71)69-42-36-61(48-73(69)75)78(55-20-10-6-11-21-55)59-34-40-65-52(46-59)30-28-50-44-57(32-38-63(50)65)77(54-18-8-5-9-19-54)58-33-39-64-51(45-58)29-31-53-47-60(35-41-66(53)64)79(56-22-12-7-13-23-56)62-37-43-70-68-25-15-17-27-72(68)76(3,4)74(70)49-62;1-4-16-50(17-5-1)51-34-36-60(37-35-51)73(61-38-42-65-54(46-61)30-32-56-48-63(40-44-67(56)65)74(58-22-6-2-7-23-58)71-28-14-20-52-18-10-12-26-69(52)71)62-39-43-66-55(47-62)31-33-57-49-64(41-45-68(57)66)75(59-24-8-3-9-25-59)72-29-15-21-53-19-11-13-27-70(53)72;1-3-22-55(23-4-1)71(68-29-13-19-48-16-7-10-26-65(48)68)57-36-40-61-51(44-57)32-34-53-46-59(38-42-63(53)61)73(70-31-15-21-50-18-9-12-28-67(50)70)60-39-43-64-54(47-60)35-33-52-45-58(37-41-62(52)64)72(56-24-5-2-6-25-56)69-30-14-20-49-17-8-11-27-66(49)69/h5-49H,1-4H3;1-49H;1-47H.

What are the key properties of 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine?

2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine has a molecular weight of 2898.68 g/mol, XLogP of 62.17, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine is sourced from PubChem (CID 158290526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).