N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C117H102N2 — CID 154608873

About N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 154608873) has the molecular formula C117H102N2 and a molecular weight of 1536.12 g/mol. Its IUPAC name is N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 154608873
• Molecular Formula: C117H102N2
• Molecular Weight: 1536.12 g/mol
• Exact Mass: 1534.80
• IUPAC Name: N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCC(CC(C)c1ccc(-c2ccc3c(c2)CC3)cc1)c1ccc(CCCCCCC2(c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc32)cc1
• InChI: InChI=1S/C117H102N2/c1-7-81(73-79(2)82-40-42-88(43-41-82)92-46-44-89-45-47-93(89)74-92)85-38-36-80(37-39-85)25-13-8-9-24-72-117(96-30-18-12-19-31-96)113-75-94(90-52-62-99(63-53-90)118(97-58-48-86(49-59-97)83-26-14-10-15-27-83)101-66-70-105-103-32-20-22-34-109(103)115(3,4)111(105)77-101)56-68-107(113)108-69-57-95(76-114(108)117)91-54-64-100(65-55-91)119(98-60-50-87(51-61-98)84-28-16-11-17-29-84)102-67-71-106-104-33-21-23-35-110(104)116(5,6)112(106)78-102/h10-12,14-23,26-44,46,48-71,74-79,81H,7-9,13,24-25,45,47,72-73H2,1-6H3
• InChIKey: QEWKPVZBTLSHJJ-UHFFFAOYSA-N
• XLogP: 31.87
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 24
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1536.12
LogP ≤ 5	31.87
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 N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 154608873) is N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(CC(C)c1ccc(-c2ccc3c(c2)CC3)cc1)c1ccc(CCCCCCC2(c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc32)cc1.

What is the InChIKey of N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is QEWKPVZBTLSHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H102N2/c1-7-81(73-79(2)82-40-42-88(43-41-82)92-46-44-89-45-47-93(89)74-92)85-38-36-80(37-39-85)25-13-8-9-24-72-117(96-30-18-12-19-31-96)113-75-94(90-52-62-99(63-53-90)118(97-58-48-86(49-59-97)83-26-14-10-15-27-83)101-66-70-105-103-32-20-22-34-109(103)115(3,4)111(105)77-101)56-68-107(113)108-69-57-95(76-114(108)117)91-54-64-100(65-55-91)119(98-60-50-87(51-61-98)84-28-16-11-17-29-84)102-67-71-106-104-33-21-23-35-110(104)116(5,6)112(106)78-102/h10-12,14-23,26-44,46,48-71,74-79,81H,7-9,13,24-25,45,47,72-73H2,1-6H3.

What are the key properties of N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1536.12 g/mol, XLogP of 31.87, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[6-[4-[5-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-3-yl]phenyl]hexyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 154608873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).