9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C57H42N2O — CID 145021118

About 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 145021118) has the molecular formula C57H42N2O and a molecular weight of 770.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 145021118
• Molecular Formula: C57H42N2O
• Molecular Weight: 770.98 g/mol
• Exact Mass: 770.33
• IUPAC Name: 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CC5c6ccc7c(c6OC45)c4ccccc4n7-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C57H42N2O/c1-57(2)50-22-11-9-18-45(50)46-33-32-43(36-51(46)57)58(41-28-24-38(25-29-41)37-14-5-3-6-15-37)42-30-26-39(27-31-42)44-20-13-21-47-48-34-35-53-54(56(48)60-55(44)47)49-19-10-12-23-52(49)59(53)40-16-7-4-8-17-40/h3-36,47,55H,1-2H3
• InChIKey: VZEMRVKEEPPPBH-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.98
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 145021118) is 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CC5c6ccc7c(c6OC45)c4ccccc4n7-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is VZEMRVKEEPPPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2O/c1-57(2)50-22-11-9-18-45(50)46-33-32-43(36-51(46)57)58(41-28-24-38(25-29-41)37-14-5-3-6-15-37)42-30-26-39(27-31-42)44-20-13-21-47-48-34-35-53-54(56(48)60-55(44)47)49-19-10-12-23-52(49)59(53)40-16-7-4-8-17-40/h3-36,47,55H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 770.98 g/mol, XLogP of 14.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 145021118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).