9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine

C116H96N2 — CID 138666682

About 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine

9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine (PubChem CID 138666682) has the molecular formula C116H96N2 and a molecular weight of 1518.06 g/mol. Its IUPAC name is 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine.

Molecular Properties

• Compound Name: 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine
• PubChem CID: 138666682
• Molecular Formula: C116H96N2
• Molecular Weight: 1518.06 g/mol
• Exact Mass: 1516.76
• IUPAC Name: 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine
• SMILES: Cc1ccccc1N(c1ccc(-c2c(C)cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc2C)cc1)c1c2ccccc2c(N(c2ccc(-c3c(C)cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)cc3C)cc2)c2ccccc2C)c2ccccc12
• InChI: InChI=1S/C116H96N2/c1-69-27-15-25-37-107(69)117(85-49-39-75(40-50-85)109-71(3)59-83(60-72(109)4)81-47-57-93-91-55-45-79(65-103(91)115(11,12)105(93)67-81)77-43-53-89-87-29-21-23-35-99(87)113(7,8)101(89)63-77)111-95-31-17-19-33-97(95)112(98-34-20-18-32-96(98)111)118(108-38-26-16-28-70(108)2)86-51-41-76(42-52-86)110-73(5)61-84(62-74(110)6)82-48-58-94-92-56-46-80(66-104(92)116(13,14)106(94)68-82)78-44-54-90-88-30-22-24-36-100(88)114(9,10)102(90)64-78/h15-68H,1-14H3
• InChIKey: UDHACXVPONIQLE-UHFFFAOYSA-N
• XLogP: 32.01
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1518.06
LogP ≤ 5	32.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine?

The IUPAC name of 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine (CID 138666682) is 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine.

What is the SMILES notation for 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine?

The canonical SMILES for 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine is Cc1ccccc1N(c1ccc(-c2c(C)cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc2C)cc1)c1c2ccccc2c(N(c2ccc(-c3c(C)cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)cc3C)cc2)c2ccccc2C)c2ccccc12.

What is the InChIKey of 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine?

The InChIKey is UDHACXVPONIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H96N2/c1-69-27-15-25-37-107(69)117(85-49-39-75(40-50-85)109-71(3)59-83(60-72(109)4)81-47-57-93-91-55-45-79(65-103(91)115(11,12)105(93)67-81)77-43-53-89-87-29-21-23-35-99(87)113(7,8)101(89)63-77)111-95-31-17-19-33-97(95)112(98-34-20-18-32-96(98)111)118(108-38-26-16-28-70(108)2)86-51-41-76(42-52-86)110-73(5)61-84(62-74(110)6)82-48-58-94-92-56-46-80(66-104(92)116(13,14)106(94)68-82)78-44-54-90-88-30-22-24-36-100(88)114(9,10)102(90)64-78/h15-68H,1-14H3.

What are the key properties of 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine?

9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine has a molecular weight of 1518.06 g/mol, XLogP of 32.01, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 138666682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).