N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine

C61H42N2O — CID 170377335

About N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine

N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine (PubChem CID 170377335) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
• PubChem CID: 170377335
• Molecular Formula: C61H42N2O
• Molecular Weight: 819.02 g/mol
• Exact Mass: 818.33
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c5c(-c6ccc7ccccc7c6)c6c(cc5n(-c5ccccc5)c34)oc3ccccc36)cc21
• InChI: InChI=1S/C61H42N2O/c1-61(2)51-25-13-11-22-47(51)48-35-34-46(37-52(48)61)62(45-32-30-41(31-33-45)39-16-5-3-6-17-39)53-26-15-24-50-58-54(63(60(50)53)44-20-7-4-8-21-44)38-56-59(49-23-12-14-27-55(49)64-56)57(58)43-29-28-40-18-9-10-19-42(40)36-43/h3-38H,1-2H3
• InChIKey: BRYBKEAFMRMNAF-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.02
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine (CID 170377335) is N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c5c(-c6ccc7ccccc7c6)c6c(cc5n(-c5ccccc5)c34)oc3ccccc36)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine?

The InChIKey is BRYBKEAFMRMNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-61(2)51-25-13-11-22-47(51)48-35-34-46(37-52(48)61)62(45-32-30-41(31-33-45)39-16-5-3-6-17-39)53-26-15-24-50-58-54(63(60(50)53)44-20-7-4-8-21-44)38-56-59(49-23-12-14-27-55(49)64-56)57(58)43-29-28-40-18-9-10-19-42(40)36-43/h3-38H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine?

N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine has a molecular weight of 819.02 g/mol, XLogP of 16.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine is sourced from PubChem (CID 170377335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).