N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine

C154H116N2 — CID 159222456

About N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine

N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine (PubChem CID 159222456) has the molecular formula C154H116N2 and a molecular weight of 1994.64 g/mol. Its IUPAC name is N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine.

Molecular Properties

• Compound Name: N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine
• PubChem CID: 159222456
• Molecular Formula: C154H116N2
• Molecular Weight: 1994.64 g/mol
• Exact Mass: 1992.91
• IUPAC Name: N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine
• SMILES: CC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7ccccc7c6)ccc4-5)cc3)cc21
• InChI: InChI=1S/C87H63N.C67H53N/c1-85(2)79-46-55(76-43-52-19-7-10-22-61(52)64-25-13-16-28-67(64)76)31-37-70(79)73-40-34-58(49-82(73)85)88(59-35-41-74-71-38-32-56(47-80(71)86(3,4)83(74)50-59)77-44-53-20-8-11-23-62(53)65-26-14-17-29-68(65)77)60-36-42-75-72-39-33-57(48-81(72)87(5,6)84(75)51-60)78-45-54-21-9-12-24-63(54)66-27-15-18-30-69(66)78;1-65(2)59-17-11-9-15-53(59)55-33-25-47(38-61(55)65)43-21-28-50(29-22-43)68(51-30-23-44(24-31-51)48-26-34-56-54-16-10-12-18-60(54)66(3,4)62(56)39-48)52-32-36-58-57-35-27-49(40-63(57)67(5,6)64(58)41-52)46-20-19-42-13-7-8-14-45(42)37-46/h7-51H,1-6H3;7-41H,1-6H3
• InChIKey: KRWFULSXIBBCHF-UHFFFAOYSA-N
• XLogP: 42.22
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1994.64
LogP ≤ 5	42.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine?

The IUPAC name of N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine (CID 159222456) is N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine.

What is the SMILES notation for N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine?

The canonical SMILES for N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine is CC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7ccccc7c6)ccc4-5)cc3)cc21.

What is the InChIKey of N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine?

The InChIKey is KRWFULSXIBBCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H63N.C67H53N/c1-85(2)79-46-55(76-43-52-19-7-10-22-61(52)64-25-13-16-28-67(64)76)31-37-70(79)73-40-34-58(49-82(73)85)88(59-35-41-74-71-38-32-56(47-80(71)86(3,4)83(74)50-59)77-44-53-20-8-11-23-62(53)65-26-14-17-29-68(65)77)60-36-42-75-72-39-33-57(48-81(72)87(5,6)84(75)51-60)78-45-54-21-9-12-24-63(54)66-27-15-18-30-69(66)78;1-65(2)59-17-11-9-15-53(59)55-33-25-47(38-61(55)65)43-21-28-50(29-22-43)68(51-30-23-44(24-31-51)48-26-34-56-54-16-10-12-18-60(54)66(3,4)62(56)39-48)52-32-36-58-57-35-27-49(40-63(57)67(5,6)64(58)41-52)46-20-19-42-13-7-8-14-45(42)37-46/h7-51H,1-6H3;7-41H,1-6H3.

What are the key properties of N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine?

N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine has a molecular weight of 1994.64 g/mol, XLogP of 42.22, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine is sourced from PubChem (CID 159222456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).