2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine

C90H82F4N2O — CID 174319091

About 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine

2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine (PubChem CID 174319091) has the molecular formula C90H82F4N2O and a molecular weight of 1283.65 g/mol. Its IUPAC name is 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine.

Molecular Properties

• Compound Name: 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine
• PubChem CID: 174319091
• Molecular Formula: C90H82F4N2O
• Molecular Weight: 1283.65 g/mol
• Exact Mass: 1282.64
• IUPAC Name: 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine
• SMILES: C=CC1=CC=C(C2(c3ccc(F)cc3)C3C=CC=CC3C3CCC(c4cccc(N(C5=CC6C(C=C5)OC5C=CC(N(c7ccc(F)cc7)C7C=CCC(C8=CC9C(C=C8)c8ccccc8C9(C8=CCC(C=C)C=C8)c8ccc(F)cc8)C7)=CC56)C5=CCC(F)CC5)c4)=CC32)CC1
• InChI: InChI=1S/C90H82F4N2O/c1-3-57-19-25-63(26-20-57)89(65-29-33-67(91)34-30-65)83-17-7-5-15-77(83)79-47-23-61(53-85(79)89)59-11-9-13-73(51-59)95(71-41-37-69(93)38-42-71)75-45-49-87-81(55-75)82-56-76(46-50-88(82)97-87)96(72-43-39-70(94)40-44-72)74-14-10-12-60(52-74)62-24-48-80-78-16-6-8-18-84(78)90(86(80)54-62,66-31-35-68(92)36-32-66)64-27-21-58(4-2)22-28-64/h3-11,13-19,21,24-25,27-36,39-41,43-46,48-51,53-56,58,60,69,74,77,79-83,85-88H,1-2,12,20,22-23,26,37-38,42,47,52H2
• InChIKey: KQBHJTJFIFTIJY-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1283.65
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine?

The IUPAC name of 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine (CID 174319091) is 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine.

What is the SMILES notation for 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine?

The canonical SMILES for 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine is C=CC1=CC=C(C2(c3ccc(F)cc3)C3C=CC=CC3C3CCC(c4cccc(N(C5=CC6C(C=C5)OC5C=CC(N(c7ccc(F)cc7)C7C=CCC(C8=CC9C(C=C8)c8ccccc8C9(C8=CCC(C=C)C=C8)c8ccc(F)cc8)C7)=CC56)C5=CCC(F)CC5)c4)=CC32)CC1.

What is the InChIKey of 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine?

The InChIKey is KQBHJTJFIFTIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H82F4N2O/c1-3-57-19-25-63(26-20-57)89(65-29-33-67(91)34-30-65)83-17-7-5-15-77(83)79-47-23-61(53-85(79)89)59-11-9-13-73(51-59)95(71-41-37-69(93)38-42-71)75-45-49-87-81(55-75)82-56-76(46-50-88(82)97-87)96(72-43-39-70(94)40-44-72)74-14-10-12-60(52-74)62-24-48-80-78-16-6-8-18-84(78)90(86(80)54-62,66-31-35-68(92)36-32-66)64-27-21-58(4-2)22-28-64/h3-11,13-19,21,24-25,27-36,39-41,43-46,48-51,53-56,58,60,69,74,77,79-83,85-88H,1-2,12,20,22-23,26,37-38,42,47,52H2.

What are the key properties of 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine?

2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine has a molecular weight of 1283.65 g/mol, XLogP of 21.50, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[5-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorophenyl)-4a,9a-dihydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-(4-fluorophenyl)-3,4,4a,4b,8a,9a-hexahydrofluoren-2-yl]phenyl]-8-N-(4-fluorocyclohexen-1-yl)-2-N-(4-fluorophenyl)-4a,5a,9a,9b-tetrahydrodibenzofuran-2,8-diamine is sourced from PubChem (CID 174319091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).