N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C128H117N3 — CID 155761610

About N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 155761610) has the molecular formula C128H117N3 and a molecular weight of 1697.36 g/mol. Its IUPAC name is N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• PubChem CID: 155761610
• Molecular Formula: C128H117N3
• Molecular Weight: 1697.36 g/mol
• Exact Mass: 1695.92
• IUPAC Name: N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• SMILES: CCCCCCc1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(N(c8ccccc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7)ccc5-6)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C)cc1
• InChI: InChI=1S/C128H117N3/c1-13-15-17-21-33-94-78-116(95(34-22-18-16-14-2)77-115(94)90-49-45-88(46-50-90)105-70-63-100(75-84(105)3)130(97-37-25-20-26-38-97)103-66-73-113-108-40-28-31-43-118(108)126(7,8)123(113)82-103)91-51-47-89(48-52-91)106-71-64-101(76-85(106)4)131(104-67-74-114-109-41-29-32-44-119(109)127(9,10)124(114)83-104)99-61-55-87(56-62-99)93-58-69-111-110-68-57-92(79-120(110)128(11,12)121(111)80-93)86-53-59-98(60-54-86)129(96-35-23-19-24-36-96)102-65-72-112-107-39-27-30-42-117(107)125(5,6)122(112)81-102/h19-20,23-32,35-83H,13-18,21-22,33-34H2,1-12H3
• InChIKey: VDRVGIMFWVENFI-UHFFFAOYSA-N
• XLogP: 36.19
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 25
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1697.36
LogP ≤ 5	36.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The IUPAC name of N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 155761610) is N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

What is the SMILES notation for N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The canonical SMILES for N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CCCCCCc1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(N(c8ccccc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7)ccc5-6)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C)cc1.

What is the InChIKey of N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The InChIKey is VDRVGIMFWVENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H117N3/c1-13-15-17-21-33-94-78-116(95(34-22-18-16-14-2)77-115(94)90-49-45-88(46-50-90)105-70-63-100(75-84(105)3)130(97-37-25-20-26-38-97)103-66-73-113-108-40-28-31-43-118(108)126(7,8)123(113)82-103)91-51-47-89(48-52-91)106-71-64-101(76-85(106)4)131(104-67-74-114-109-41-29-32-44-119(109)127(9,10)124(114)83-104)99-61-55-87(56-62-99)93-58-69-111-110-68-57-92(79-120(110)128(11,12)121(111)80-93)86-53-59-98(60-54-86)129(96-35-23-19-24-36-96)102-65-72-112-107-39-27-30-42-117(107)125(5,6)122(112)81-102/h19-20,23-32,35-83H,13-18,21-22,33-34H2,1-12H3.

What are the key properties of N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 1697.36 g/mol, XLogP of 36.19, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 155761610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).