N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine

C54H44N2O — CID 126517841

About N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine

N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine (PubChem CID 126517841) has the molecular formula C54H44N2O and a molecular weight of 736.96 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine
• PubChem CID: 126517841
• Molecular Formula: C54H44N2O
• Molecular Weight: 736.96 g/mol
• Exact Mass: 736.35
• IUPAC Name: N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine
• SMILES: CC1/C=C\C=C/Cc2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6o5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc2N1c1ccccc1
• InChI: InChI=1S/C54H44N2O/c1-37-14-6-4-7-15-41-34-40(26-33-51(41)55(37)43-17-8-5-9-18-43)38-22-27-44(28-23-38)56(45-29-24-39(25-30-45)53-35-42-16-10-13-21-52(42)57-53)46-31-32-48-47-19-11-12-20-49(47)54(2,3)50(48)36-46/h4-14,16-37H,15H2,1-3H3/b7-4-,14-6-
• InChIKey: BKLABZVGNNCIPX-BWSMTDNNSA-N
• XLogP: 14.74
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.96
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine?

The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine (CID 126517841) is N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine.

What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine?

The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine is CC1/C=C\C=C/Cc2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6o5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc2N1c1ccccc1.

What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine?

The InChIKey is BKLABZVGNNCIPX-BWSMTDNNSA-N. The full InChI is InChI=1S/C54H44N2O/c1-37-14-6-4-7-15-41-34-40(26-33-51(41)55(37)43-17-8-5-9-18-43)38-22-27-44(28-23-38)56(45-29-24-39(25-30-45)53-35-42-16-10-13-21-52(42)57-53)46-31-32-48-47-19-11-12-20-49(47)54(2,3)50(48)36-46/h4-14,16-37H,15H2,1-3H3/b7-4-,14-6-.

What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine?

N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine has a molecular weight of 736.96 g/mol, XLogP of 14.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[(3Z,5Z)-2-methyl-1-phenyl-2,7-dihydro-1-benzazonin-9-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 126517841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).