9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C75H69NO — CID 155606240

About 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine

9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155606240) has the molecular formula C75H69NO and a molecular weight of 1000.38 g/mol. Its IUPAC name is 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155606240
• Molecular Formula: C75H69NO
• Molecular Weight: 1000.38 g/mol
• Exact Mass: 999.54
• IUPAC Name: 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCCCCCc1ccc(C2(c3ccc(Oc4ccc(C(C)CC(CC)c5ccc(-c6ccc7c(c6)CC7)cc5)cc4)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc32)cc1
• InChI: InChI=1S/C75H69NO/c1-4-6-7-10-17-54-24-38-64(39-25-54)75(73-23-16-15-22-71(73)72-49-44-68(52-74(72)75)76(66-20-13-9-14-21-66)67-42-34-59(35-43-67)57-18-11-8-12-19-57)65-40-47-70(48-41-65)77-69-45-36-56(37-46-69)53(3)50-55(5-2)58-26-28-60(29-27-58)62-32-30-61-31-33-63(61)51-62/h8-9,11-16,18-30,32,34-49,51-53,55H,4-7,10,17,31,33,50H2,1-3H3
• InChIKey: MBRXQJRBZKTAAZ-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 19
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.38
LogP ≤ 5	20.55
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-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155606240) is 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine is CCCCCCc1ccc(C2(c3ccc(Oc4ccc(C(C)CC(CC)c5ccc(-c6ccc7c(c6)CC7)cc5)cc4)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc32)cc1.

What is the InChIKey of 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is MBRXQJRBZKTAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H69NO/c1-4-6-7-10-17-54-24-38-64(39-25-54)75(73-23-16-15-22-71(73)72-49-44-68(52-74(72)75)76(66-20-13-9-14-21-66)67-42-34-59(35-43-67)57-18-11-8-12-19-57)65-40-47-70(48-41-65)77-69-45-36-56(37-46-69)53(3)50-55(5-2)58-26-28-60(29-27-58)62-32-30-61-31-33-63(61)51-62/h8-9,11-16,18-30,32,34-49,51-53,55H,4-7,10,17,31,33,50H2,1-3H3.

What are the key properties of 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1000.38 g/mol, XLogP of 20.55, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155606240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).