2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine

C115H111FN2O3 — CID 174319762

About 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine

2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine (PubChem CID 174319762) has the molecular formula C115H111FN2O3 and a molecular weight of 1588.16 g/mol. Its IUPAC name is 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine.

Molecular Properties

• Compound Name: 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine
• PubChem CID: 174319762
• Molecular Formula: C115H111FN2O3
• Molecular Weight: 1588.16 g/mol
• Exact Mass: 1586.86
• IUPAC Name: 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine
• SMILES: C=CC1=CCC(OC2=CCC(C3(c4ccc(F)cc4)C4C=CC=CC4C4C=CC(N(C5=CC6=C(CC5)OC5C=CC(N(C7=CC8C(C=C7)C7C=CC=CC7C8(C7=CCC(C)CC7)C7C=CC(OC8=CCC(C=C)C=C8)=CC7)C7=CCC(c8cccc(-c9ccccc9)c8)CC7)=CC65)C5C=CC(c6cccc(C7=CC=CCC7)c6)=CC5)=CC43)C=C2)C=C1
• InChI: InChI=1S/C115H111FN2O3/c1-4-77-32-58-98(59-33-77)119-100-62-44-89(45-63-100)114(87-40-30-76(3)31-41-87)108-28-14-12-26-102(108)104-66-54-96(74-110(104)114)117(92-50-36-81(37-51-92)85-24-16-22-83(70-85)79-18-8-6-9-19-79)94-56-68-112-106(72-94)107-73-95(57-69-113(107)121-112)118(93-52-38-82(39-53-93)86-25-17-23-84(71-86)80-20-10-7-11-21-80)97-55-67-105-103-27-13-15-29-109(103)115(111(105)75-97,88-42-48-91(116)49-43-88)90-46-64-101(65-47-90)120-99-60-34-78(5-2)35-61-99/h4-10,12-20,22-29,32,34-35,38-40,42-44,46,48-50,52,54-56,58-60,62-68,70-77,81,89-90,93,99,102-106,108-112H,1-2,11,21,30-31,33,36-37,41,45,47,51,53,57,61,69H2,3H3
• InChIKey: DSXONHRIXXKDGT-UHFFFAOYSA-N
• XLogP: 27.62
• TPSA: 34.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1588.16
LogP ≤ 5	27.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine?

The IUPAC name of 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine (CID 174319762) is 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine.

What is the SMILES notation for 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine?

The canonical SMILES for 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine is C=CC1=CCC(OC2=CCC(C3(c4ccc(F)cc4)C4C=CC=CC4C4C=CC(N(C5=CC6=C(CC5)OC5C=CC(N(C7=CC8C(C=C7)C7C=CC=CC7C8(C7=CCC(C)CC7)C7C=CC(OC8=CCC(C=C)C=C8)=CC7)C7=CCC(c8cccc(-c9ccccc9)c8)CC7)=CC65)C5C=CC(c6cccc(C7=CC=CCC7)c6)=CC5)=CC43)C=C2)C=C1.

What is the InChIKey of 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine?

The InChIKey is DSXONHRIXXKDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H111FN2O3/c1-4-77-32-58-98(59-33-77)119-100-62-44-89(45-63-100)114(87-40-30-76(3)31-41-87)108-28-14-12-26-102(108)104-66-54-96(74-110(104)114)117(92-50-36-81(37-51-92)85-24-16-22-83(70-85)79-18-8-6-9-19-79)94-56-68-112-106(72-94)107-73-95(57-69-113(107)121-112)118(93-52-38-82(39-53-93)86-25-17-23-84(71-86)80-20-10-7-11-21-80)97-55-67-105-103-27-13-15-29-109(103)115(111(105)75-97,88-42-48-91(116)49-43-88)90-46-64-101(65-47-90)120-99-60-34-78(5-2)35-61-99/h4-10,12-20,22-29,32,34-35,38-40,42-44,46,48-50,52,54-56,58-60,62-68,70-77,81,89-90,93,99,102-106,108-112H,1-2,11,21,30-31,33,36-37,41,45,47,51,53,57,61,69H2,3H3.

What are the key properties of 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine?

2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine has a molecular weight of 1588.16 g/mol, XLogP of 27.62, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)cyclohexa-2,4-dien-1-yl]-2-N-[9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-fluorophenyl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-9-(4-methylcyclohexen-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-[4-(3-phenylphenyl)cyclohexen-1-yl]-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine is sourced from PubChem (CID 174319762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).