4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine

C123H113F3I2N4O14 — CID 161255911

About 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine

4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine (PubChem CID 161255911) has the molecular formula C123H113F3I2N4O14 and a molecular weight of 2182.07 g/mol. Its IUPAC name is 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine.

Molecular Properties

• Compound Name: 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine
• PubChem CID: 161255911
• Molecular Formula: C123H113F3I2N4O14
• Molecular Weight: 2182.07 g/mol
• Exact Mass: 2180.63
• IUPAC Name: 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine
• SMILES: COc1ccc(C2(c3ccc(C(F)(F)F)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.COc1ccc(C2(c3ccc(N(C)C)cc3)C=Cc3c(C)cc4c(OC)cc(OC)cc4c3O2)cc1.COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.COc1ccc(C2(c3ccccc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.II
• InChI: InChI=1S/C31H26F3NO3.C31H29NO4.C31H31NO4.C30H27NO3.I2/c1-36-24-12-10-22(11-13-24)30(21-6-8-23(9-7-21)31(32,33)34)15-14-27-25-4-2-3-5-26(25)28(20-29(27)38-30)35-16-18-37-19-17-35;1-33-24-11-7-22(8-12-24)31(23-9-13-25(34-2)14-10-23)16-15-28-26-5-3-4-6-27(26)29(21-30(28)36-31)32-17-19-35-20-18-32;1-20-17-27-28(18-25(34-5)19-29(27)35-6)30-26(20)15-16-31(36-30,22-9-13-24(33-4)14-10-22)21-7-11-23(12-8-21)32(2)3;1-32-24-13-11-23(12-14-24)30(22-7-3-2-4-8-22)16-15-27-25-9-5-6-10-26(25)28(21-29(27)34-30)31-17-19-33-20-18-31;1-2/h2-15,20H,16-19H2,1H3;3-16,21H,17-20H2,1-2H3;7-19H,1-6H3;2-16,21H,17-20H2,1H3
• InChIKey: VBXJKQRMMORFLI-UHFFFAOYSA-N
• XLogP: 27.49
• TPSA: 142.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2182.07
LogP ≤ 5	27.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine?

The IUPAC name of 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine (CID 161255911) is 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine.

What is the SMILES notation for 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine?

The canonical SMILES for 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine is COc1ccc(C2(c3ccc(C(F)(F)F)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.COc1ccc(C2(c3ccc(N(C)C)cc3)C=Cc3c(C)cc4c(OC)cc(OC)cc4c3O2)cc1.COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.COc1ccc(C2(c3ccccc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.II.

What is the InChIKey of 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine?

The InChIKey is VBXJKQRMMORFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3NO3.C31H29NO4.C31H31NO4.C30H27NO3.I2/c1-36-24-12-10-22(11-13-24)30(21-6-8-23(9-7-21)31(32,33)34)15-14-27-25-4-2-3-5-26(25)28(20-29(27)38-30)35-16-18-37-19-17-35;1-33-24-11-7-22(8-12-24)31(23-9-13-25(34-2)14-10-23)16-15-28-26-5-3-4-6-27(26)29(21-30(28)36-31)32-17-19-35-20-18-32;1-20-17-27-28(18-25(34-5)19-29(27)35-6)30-26(20)15-16-31(36-30,22-9-13-24(33-4)14-10-22)21-7-11-23(12-8-21)32(2)3;1-32-24-13-11-23(12-14-24)30(22-7-3-2-4-8-22)16-15-27-25-9-5-6-10-26(25)28(21-29(27)34-30)31-17-19-33-20-18-31;1-2/h2-15,20H,16-19H2,1H3;3-16,21H,17-20H2,1-2H3;7-19H,1-6H3;2-16,21H,17-20H2,1H3;.

What are the key properties of 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine?

4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine has a molecular weight of 2182.07 g/mol, XLogP of 27.49, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,3-bis(4-methoxyphenyl)benzo[f]chromen-6-yl]morpholine;4-[7,9-dimethoxy-2-(4-methoxyphenyl)-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine;4-[3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine;molecular iodine is sourced from PubChem (CID 161255911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).