N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine

C55H43NO — CID 156558412

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine (PubChem CID 156558412) has the molecular formula C55H43NO and a molecular weight of 733.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine
• PubChem CID: 156558412
• Molecular Formula: C55H43NO
• Molecular Weight: 733.96 g/mol
• Exact Mass: 733.33
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4C=Cc5ccccc5C4C4=CC=C(c5ccccc5)CC4)cc3)c3cccc4c3oc3ccccc34)cc21
• InChI: InChI=1S/C55H43NO/c1-55(2)49-20-10-8-17-45(49)46-34-32-42(35-50(46)55)56(51-21-12-19-48-47-18-9-11-22-52(47)57-54(48)51)41-30-27-39(28-31-41)44-33-29-38-15-6-7-16-43(38)53(44)40-25-23-37(24-26-40)36-13-4-3-5-14-36/h3-23,25,27-35,44,53H,24,26H2,1-2H3
• InChIKey: HYXDAUMJLQEVDB-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.96
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine (CID 156558412) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4C=Cc5ccccc5C4C4=CC=C(c5ccccc5)CC4)cc3)c3cccc4c3oc3ccccc34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine?

The InChIKey is HYXDAUMJLQEVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43NO/c1-55(2)49-20-10-8-17-45(49)46-34-32-42(35-50(46)55)56(51-21-12-19-48-47-18-9-11-22-52(47)57-54(48)51)41-30-27-39(28-31-41)44-33-29-38-15-6-7-16-43(38)53(44)40-25-23-37(24-26-40)36-13-4-3-5-14-36/h3-23,25,27-35,44,53H,24,26H2,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine?

N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 733.96 g/mol, XLogP of 15.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2-dihydronaphthalen-2-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 156558412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).