10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

C55H36N2O — CID 134223324

About 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223324) has the molecular formula C55H36N2O and a molecular weight of 740.91 g/mol. Its IUPAC name is 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 134223324
• Molecular Formula: C55H36N2O
• Molecular Weight: 740.91 g/mol
• Exact Mass: 740.28
• IUPAC Name: 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc4n(-c4cccc5ccccc45)c3cc21
• InChI: InChI=1S/C55H36N2O/c1-55(2)46-20-10-8-18-38(46)40-29-43-42-28-35(24-26-50(42)57(51(43)31-47(40)55)48-21-12-14-33-13-6-7-17-37(33)48)34-23-25-49-41(27-34)44-30-45-39-19-9-11-22-53(39)58-54(45)32-52(44)56(49)36-15-4-3-5-16-36/h3-32H,1-2H3
• InChIKey: RFKNSJISYCYCBU-UHFFFAOYSA-N
• XLogP: 14.91
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.91
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 134223324) is 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole.

What is the SMILES notation for 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?

The canonical SMILES for 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc4n(-c4cccc5ccccc45)c3cc21.

What is the InChIKey of 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?

The InChIKey is RFKNSJISYCYCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O/c1-55(2)46-20-10-8-18-38(46)40-29-43-42-28-35(24-26-50(42)57(51(43)31-47(40)55)48-21-12-14-33-13-6-7-17-37(33)48)34-23-25-49-41(27-34)44-30-45-39-19-9-11-22-53(39)58-54(45)32-52(44)56(49)36-15-4-3-5-16-36/h3-32H,1-2H3.

What are the key properties of 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?

10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 740.91 g/mol, XLogP of 14.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).