9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine

C97H85F3N2 — CID 89068738

About 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine

9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine (PubChem CID 89068738) has the molecular formula C97H85F3N2 and a molecular weight of 1335.75 g/mol. Its IUPAC name is 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine.

Molecular Properties

• Compound Name: 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine
• PubChem CID: 89068738
• Molecular Formula: C97H85F3N2
• Molecular Weight: 1335.75 g/mol
• Exact Mass: 1334.67
• IUPAC Name: 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine
• SMILES: CCC1(CC2(C(F)(F)F)c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc3C3C=C(N(c4ccccc4)c4ccccc4)C=CC32)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(CCCC(C)C)CCCC(C)C)cc21
• InChI: InChI=1S/C97H85F3N2/c1-6-94(63-96(97(98,99)100)89-52-47-76(101(74-33-15-9-16-34-74)75-35-17-10-18-36-75)61-85(89)80-49-44-70(60-91(80)96)73-56-71(66-29-11-7-12-30-66)55-72(57-73)67-31-13-8-14-32-67)87-51-46-77(102-92-41-23-20-38-81(92)82-39-21-24-42-93(82)102)62-84(87)79-48-43-69(59-90(79)94)68-45-50-88-83(58-68)78-37-19-22-40-86(78)95(88,53-25-27-64(2)3)54-26-28-65(4)5/h7-24,29-52,55-62,64-65,85,89H,6,25-28,53-54,63H2,1-5H3
• InChIKey: AFICAVFISQCNJR-UHFFFAOYSA-N
• XLogP: 26.94
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1335.75
LogP ≤ 5	26.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine?

The IUPAC name of 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine (CID 89068738) is 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine.

What is the SMILES notation for 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine?

The canonical SMILES for 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine is CCC1(CC2(C(F)(F)F)c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc3C3C=C(N(c4ccccc4)c4ccccc4)C=CC32)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(CCCC(C)C)CCCC(C)C)cc21.

What is the InChIKey of 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine?

The InChIKey is AFICAVFISQCNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H85F3N2/c1-6-94(63-96(97(98,99)100)89-52-47-76(101(74-33-15-9-16-34-74)75-35-17-10-18-36-75)61-85(89)80-49-44-70(60-91(80)96)73-56-71(66-29-11-7-12-30-66)55-72(57-73)67-31-13-8-14-32-67)87-51-46-77(102-92-41-23-20-38-81(92)82-39-21-24-42-93(82)102)62-84(87)79-48-43-69(59-90(79)94)68-45-50-88-83(58-68)78-37-19-22-40-86(78)95(88,53-25-27-64(2)3)54-26-28-65(4)5/h7-24,29-52,55-62,64-65,85,89H,6,25-28,53-54,63H2,1-5H3.

What are the key properties of 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine?

9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine has a molecular weight of 1335.75 g/mol, XLogP of 26.94, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)-4a,9a-dihydrofluoren-3-amine is sourced from PubChem (CID 89068738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).