1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine

C95H80N2O2 — CID 146388695

About 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine

1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 146388695) has the molecular formula C95H80N2O2 and a molecular weight of 1281.70 g/mol. Its IUPAC name is 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
• PubChem CID: 146388695
• Molecular Formula: C95H80N2O2
• Molecular Weight: 1281.70 g/mol
• Exact Mass: 1280.62
• IUPAC Name: 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
• SMILES: C=Cc1ccc(OCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc5c(c4)C(CCCCOc4ccc(C=C)cc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
• InChI: InChI=1S/C95H80N2O2/c1-5-67-38-53-79(54-39-67)98-62-24-22-60-94(71-28-12-8-13-29-71)88-36-20-17-33-82(88)85-58-51-77(65-91(85)94)97(78-52-59-86-83-34-18-21-37-89(83)95(92(86)66-78,72-30-14-9-15-31-72)61-23-25-63-99-80-55-40-68(6-2)41-56-80)75-48-46-74(47-49-75)96(73-44-42-70(43-45-73)69-26-10-7-11-27-69)76-50-57-84-81-32-16-19-35-87(81)93(3,4)90(84)64-76/h5-21,26-59,64-66H,1-2,22-25,60-63H2,3-4H3
• InChIKey: DRSBKOZSKXVDOI-UHFFFAOYSA-N
• XLogP: 25.01
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 23
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1281.70
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine?

The IUPAC name of 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine (CID 146388695) is 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine.

What is the SMILES notation for 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine?

The canonical SMILES for 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine is C=Cc1ccc(OCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc5c(c4)C(CCCCOc4ccc(C=C)cc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.

What is the InChIKey of 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine?

The InChIKey is DRSBKOZSKXVDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H80N2O2/c1-5-67-38-53-79(54-39-67)98-62-24-22-60-94(71-28-12-8-13-29-71)88-36-20-17-33-82(88)85-58-51-77(65-91(85)94)97(78-52-59-86-83-34-18-21-37-89(83)95(92(86)66-78,72-30-14-9-15-31-72)61-23-25-63-99-80-55-40-68(6-2)41-56-80)75-48-46-74(47-49-75)96(73-44-42-70(43-45-73)69-26-10-7-11-27-69)76-50-57-84-81-32-16-19-35-87(81)93(3,4)90(84)64-76/h5-21,26-59,64-66H,1-2,22-25,60-63H2,3-4H3.

What are the key properties of 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine?

1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 1281.70 g/mol, XLogP of 25.01, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 146388695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).