N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

C69H63NO — CID 155606370

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

N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 155606370) has the molecular formula C69H63NO and a molecular weight of 922.27 g/mol. Its IUPAC name is N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
• PubChem CID: 155606370
• Molecular Formula: C69H63NO
• Molecular Weight: 922.27 g/mol
• Exact Mass: 921.49
• IUPAC Name: N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
• SMILES: CCC(CC(C)c1ccc(Oc2ccc(C3(c4ccc(C(C)C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc2)cc1)c1ccc2c(c1)CC2
• InChI: InChI=1S/C69H63NO/c1-7-47(51-23-21-50-22-24-52(50)42-51)41-46(4)49-27-35-58(36-28-49)71-59-37-31-54(32-38-59)69(53-29-25-48(26-30-53)45(2)3)65-20-14-12-18-61(65)63-40-34-57(44-67(63)69)70(55-15-9-8-10-16-55)56-33-39-62-60-17-11-13-19-64(60)68(5,6)66(62)43-56/h8-21,23,25-40,42-47H,7,22,24,41H2,1-6H3
• InChIKey: JXNYMJUOEPQMOX-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.27
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The IUPAC name of N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 155606370) is N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

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

The canonical SMILES for N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is CCC(CC(C)c1ccc(Oc2ccc(C3(c4ccc(C(C)C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc2)cc1)c1ccc2c(c1)CC2.

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

The InChIKey is JXNYMJUOEPQMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H63NO/c1-7-47(51-23-21-50-22-24-52(50)42-51)41-46(4)49-27-35-58(36-28-49)71-59-37-31-54(32-38-59)69(53-29-25-48(26-30-53)45(2)3)65-20-14-12-18-61(65)63-40-34-57(44-67(63)69)70(55-15-9-8-10-16-55)56-33-39-62-60-17-11-13-19-64(60)68(5,6)66(62)43-56/h8-21,23,25-40,42-47H,7,22,24,41H2,1-6H3.

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

N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 922.27 g/mol, XLogP of 18.53, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 155606370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).