N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine

C119H78N2O4 — CID 163494653

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine (PubChem CID 163494653) has the molecular formula C119H78N2O4 and a molecular weight of 1599.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
• PubChem CID: 163494653
• Molecular Formula: C119H78N2O4
• Molecular Weight: 1599.94 g/mol
• Exact Mass: 1598.60
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc45)cc3)c3ccc4c(c3)oc3ccccc34)cc21.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc2)c2ccc3c(c2)oc2ccccc23)cc1
• InChI: InChI=1S/C64H43NO2.C55H35NO2/c1-63(2)55-20-10-6-16-47(55)50-33-30-45(38-58(50)63)65(46-31-34-52-51-19-9-13-23-59(51)66-62(52)39-46)44-28-24-40(25-29-44)41-26-32-53-54-37-43(27-35-60(54)67-61(53)36-41)64(42-14-4-3-5-15-42)56-21-11-7-17-48(56)49-18-8-12-22-57(49)64;1-3-13-38(14-4-1)55(49-20-10-7-17-43(49)44-18-8-11-21-50(44)55)39-26-32-52-48(34-39)47-30-25-37(33-53(47)58-52)36-23-27-41(28-24-36)56(40-15-5-2-6-16-40)42-29-31-46-45-19-9-12-22-51(45)57-54(46)35-42/h3-39H,1-2H3;1-35H
• InChIKey: CPQQXTSFTXHTSU-UHFFFAOYSA-N
• XLogP: 32.28
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1599.94
LogP ≤ 5	32.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine (CID 163494653) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc45)cc3)c3ccc4c(c3)oc3ccccc34)cc21.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc2)c2ccc3c(c2)oc2ccccc23)cc1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine?

The InChIKey is CPQQXTSFTXHTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO2.C55H35NO2/c1-63(2)55-20-10-6-16-47(55)50-33-30-45(38-58(50)63)65(46-31-34-52-51-19-9-13-23-59(51)66-62(52)39-46)44-28-24-40(25-29-44)41-26-32-53-54-37-43(27-35-60(54)67-61(53)36-41)64(42-14-4-3-5-15-42)56-21-11-7-17-48(56)49-18-8-12-22-57(49)64;1-3-13-38(14-4-1)55(49-20-10-7-17-43(49)44-18-8-11-21-50(44)55)39-26-32-52-48(34-39)47-30-25-37(33-53(47)58-52)36-23-27-41(28-24-36)56(40-15-5-2-6-16-40)42-29-31-46-45-19-9-12-22-51(45)57-54(46)35-42/h3-39H,1-2H3;1-35H.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine?

N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine has a molecular weight of 1599.94 g/mol, XLogP of 32.28, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 163494653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).