9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine

C72H63NO — CID 155606239

About 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine

9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 155606239) has the molecular formula C72H63NO and a molecular weight of 958.30 g/mol. Its IUPAC name is 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155606239
• Molecular Formula: C72H63NO
• Molecular Weight: 958.30 g/mol
• Exact Mass: 957.49
• IUPAC Name: 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
• SMILES: CCC(CC(C)c1ccc(COc2ccc(C3(c4cc(C)cc(C)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1)c1ccc2c(c1)CC2
• InChI: InChI=1S/C72H63NO/c1-5-53(60-26-24-59-25-27-61(59)46-60)45-51(4)54-22-20-52(21-23-54)48-74-67-39-32-62(33-40-67)72(63-43-49(2)42-50(3)44-63)70-19-13-12-18-68(70)69-41-38-66(47-71(69)72)73(64-34-28-57(29-35-64)55-14-8-6-9-15-55)65-36-30-58(31-37-65)56-16-10-7-11-17-56/h6-24,26,28-44,46-47,51,53H,5,25,27,45,48H2,1-4H3
• InChIKey: IFNDDTIRCVZQSF-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.30
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 155606239) is 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is CCC(CC(C)c1ccc(COc2ccc(C3(c4cc(C)cc(C)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1)c1ccc2c(c1)CC2.

What is the InChIKey of 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The InChIKey is IFNDDTIRCVZQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H63NO/c1-5-53(60-26-24-59-25-27-61(59)46-60)45-51(4)54-22-20-52(21-23-54)48-74-67-39-32-62(33-40-67)72(63-43-49(2)42-50(3)44-63)70-19-13-12-18-68(70)69-41-38-66(47-71(69)72)73(64-34-28-57(29-35-64)55-14-8-6-9-15-55)65-36-30-58(31-37-65)56-16-10-7-11-17-56/h6-24,26,28-44,46-47,51,53H,5,25,27,45,48H2,1-4H3.

What are the key properties of 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?

9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 958.30 g/mol, XLogP of 18.84, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155606239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).