N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine

C94H98F2N2 — CID 166648068

About N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine

N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine (PubChem CID 166648068) has the molecular formula C94H98F2N2 and a molecular weight of 1293.83 g/mol. Its IUPAC name is N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
• PubChem CID: 166648068
• Molecular Formula: C94H98F2N2
• Molecular Weight: 1293.83 g/mol
• Exact Mass: 1292.77
• IUPAC Name: N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
• SMILES: C=Cc1ccc(C2(C3C=C(C)C=CC3C)C3=C(CCC=C3)C3=C2C=C(N(C2=CCC(C4C=CC(N(C5=CCC(C6=CCCCC6)CC5)c5ccc6c(c5)C(c5ccc(C=C)cc5)(C5CC(C)=CC=C5C)C5CCC=CC65)=CC4F)C(F)=C2)C2CC=C(c4ccccc4)CC2)CC3)cc1
• InChI: InChI=1S/C94H98F2N2/c1-7-65-31-39-71(40-32-65)93(87-55-61(3)27-29-63(87)5)85-25-17-15-23-79(85)81-51-47-75(57-89(81)93)97(73-43-35-69(36-44-73)67-19-11-9-12-20-67)77-49-53-83(91(95)59-77)84-54-50-78(60-92(84)96)98(74-45-37-70(38-46-74)68-21-13-10-14-22-68)76-48-52-82-80-24-16-18-26-86(80)94(90(82)58-76,72-41-33-66(8-2)34-42-72)88-56-62(4)28-30-64(88)6/h7-9,11-12,16-17,19-21,24-25,27-35,39-42,45,48-50,52,54-55,57-60,63,70,73,80,83-84,86-88,92H,1-2,10,13-15,18,22-23,26,36-38,43-44,46-47,51,53,56H2,3-6H3
• InChIKey: UKSDTUUCOVFJAV-UHFFFAOYSA-N
• XLogP: 24.67
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1293.83
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine?

The IUPAC name of N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine (CID 166648068) is N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine.

What is the SMILES notation for N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine?

The canonical SMILES for N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine is C=Cc1ccc(C2(C3C=C(C)C=CC3C)C3=C(CCC=C3)C3=C2C=C(N(C2=CCC(C4C=CC(N(C5=CCC(C6=CCCCC6)CC5)c5ccc6c(c5)C(c5ccc(C=C)cc5)(C5CC(C)=CC=C5C)C5CCC=CC65)=CC4F)C(F)=C2)C2CC=C(c4ccccc4)CC2)CC3)cc1.

What is the InChIKey of N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine?

The InChIKey is UKSDTUUCOVFJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H98F2N2/c1-7-65-31-39-71(40-32-65)93(87-55-61(3)27-29-63(87)5)85-25-17-15-23-79(85)81-51-47-75(57-89(81)93)97(73-43-35-69(36-44-73)67-19-11-9-12-20-67)77-49-53-83(91(95)59-77)84-54-50-78(60-92(84)96)98(74-45-37-70(38-46-74)68-21-13-10-14-22-68)76-48-52-82-80-24-16-18-26-86(80)94(90(82)58-76,72-41-33-66(8-2)34-42-72)88-56-62(4)28-30-64(88)6/h7-9,11-12,16-17,19-21,24-25,27-35,39-42,45,48-50,52,54-55,57-60,63,70,73,80,83-84,86-88,92H,1-2,10,13-15,18,22-23,26,36-38,43-44,46-47,51,53,56H2,3-6H3.

What are the key properties of N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine?

N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine has a molecular weight of 1293.83 g/mol, XLogP of 24.67, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine is sourced from PubChem (CID 166648068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).