9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine

C117H110N2 — CID 155088287

About 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine

9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155088287) has the molecular formula C117H110N2 and a molecular weight of 1544.18 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155088287
• Molecular Formula: C117H110N2
• Molecular Weight: 1544.18 g/mol
• Exact Mass: 1542.87
• IUPAC Name: 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(CC2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc(CCCCCC)c(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C(Cc7ccc(C=C)cc7)(c7ccc(C(C)(C)C)cc7)c7ccccc7-8)cc6)cc5CCCCC)cc4)cc32)cc1
• InChI: InChI=1S/C117H110N2/c1-11-15-17-21-35-93-77-108(90-52-68-100(69-53-90)118(98-64-48-88(49-65-98)86-30-22-18-23-31-86)102-72-74-106-104-36-26-28-38-110(104)116(112(106)78-102,80-84-44-40-82(13-3)41-45-84)96-60-56-94(57-61-96)114(5,6)7)92(34-20-16-12-2)76-109(93)91-54-70-101(71-55-91)119(99-66-50-89(51-67-99)87-32-24-19-25-33-87)103-73-75-107-105-37-27-29-39-111(105)117(113(107)79-103,81-85-46-42-83(14-4)43-47-85)97-62-58-95(59-63-97)115(8,9)10/h13-14,18-19,22-33,36-79H,3-4,11-12,15-17,20-21,34-35,80-81H2,1-2,5-10H3
• InChIKey: DNBPANUCWRSTPT-UHFFFAOYSA-N
• XLogP: 32.15
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 27
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1544.18
LogP ≤ 5	32.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 155088287) is 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1ccc(CC2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc(CCCCCC)c(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C(Cc7ccc(C=C)cc7)(c7ccc(C(C)(C)C)cc7)c7ccccc7-8)cc6)cc5CCCCC)cc4)cc32)cc1.

What is the InChIKey of 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is DNBPANUCWRSTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H110N2/c1-11-15-17-21-35-93-77-108(90-52-68-100(69-53-90)118(98-64-48-88(49-65-98)86-30-22-18-23-31-86)102-72-74-106-104-36-26-28-38-110(104)116(112(106)78-102,80-84-44-40-82(13-3)41-45-84)96-60-56-94(57-61-96)114(5,6)7)92(34-20-16-12-2)76-109(93)91-54-70-101(71-55-91)119(99-66-50-89(51-67-99)87-32-24-19-25-33-87)103-73-75-107-105-37-27-29-39-111(105)117(113(107)79-103,81-85-46-42-83(14-4)43-47-85)97-62-58-95(59-63-97)115(8,9)10/h13-14,18-19,22-33,36-79H,3-4,11-12,15-17,20-21,34-35,80-81H2,1-2,5-10H3.

What are the key properties of 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?

9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1544.18 g/mol, XLogP of 32.15, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155088287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).