7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine

C79H69N3 — CID 89074355

About 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine

7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine (PubChem CID 89074355) has the molecular formula C79H69N3 and a molecular weight of 1060.44 g/mol. Its IUPAC name is 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
• PubChem CID: 89074355
• Molecular Formula: C79H69N3
• Molecular Weight: 1060.44 g/mol
• Exact Mass: 1059.55
• IUPAC Name: 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
• SMILES: Cc1ccc(N(C2=CC3=C(CC2)c2ccc(-c4cc5c6c(c4)c4cc(-c7ccc8c(c7)C(C)(C)c7cc(N(c9ccc(C)cc9)c9ccc(C)cc9)ccc7-8)ccc4n6-c4ccccc4C5(C)C)cc2C3(C)C)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C79H69N3/c1-48-15-26-56(27-16-48)80(57-28-17-49(2)18-29-57)60-34-38-64-62-36-23-53(43-69(62)78(7,8)71(64)46-60)52-25-40-74-66(41-52)67-42-55(45-73-76(67)82(74)75-14-12-11-13-68(75)77(73,5)6)54-24-37-63-65-39-35-61(47-72(65)79(9,10)70(63)44-54)81(58-30-19-50(3)20-31-58)59-32-21-51(4)22-33-59/h11-34,36-38,40-47H,35,39H2,1-10H3
• InChIKey: XHZKPBFONSEMHD-UHFFFAOYSA-N
• XLogP: 21.33
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1060.44
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?

The IUPAC name of 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine (CID 89074355) is 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine.

What is the SMILES notation for 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?

The canonical SMILES for 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine is Cc1ccc(N(C2=CC3=C(CC2)c2ccc(-c4cc5c6c(c4)c4cc(-c7ccc8c(c7)C(C)(C)c7cc(N(c9ccc(C)cc9)c9ccc(C)cc9)ccc7-8)ccc4n6-c4ccccc4C5(C)C)cc2C3(C)C)c2ccc(C)cc2)cc1.

What is the InChIKey of 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?

The InChIKey is XHZKPBFONSEMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H69N3/c1-48-15-26-56(27-16-48)80(57-28-17-49(2)18-29-57)60-34-38-64-62-36-23-53(43-69(62)78(7,8)71(64)46-60)52-25-40-74-66(41-52)67-42-55(45-73-76(67)82(74)75-14-12-11-13-68(75)77(73,5)6)54-24-37-63-65-39-35-61(47-72(65)79(9,10)70(63)44-54)81(58-30-19-50(3)20-31-58)59-32-21-51(4)22-33-59/h11-34,36-38,40-47H,35,39H2,1-10H3.

What are the key properties of 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?

7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine has a molecular weight of 1060.44 g/mol, XLogP of 21.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 89074355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).