N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C71H70N2O2S — CID 155648199

About N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155648199) has the molecular formula C71H70N2O2S and a molecular weight of 1015.42 g/mol. Its IUPAC name is N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155648199
• Molecular Formula: C71H70N2O2S
• Molecular Weight: 1015.42 g/mol
• Exact Mass: 1014.52
• IUPAC Name: N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCCCCCCCCCCCC1COc2c(-c3cc(C)cc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc54)c3)sc(C)c2O1
• InChI: InChI=1S/C71H70N2O2S/c1-6-7-8-9-10-11-12-13-14-18-25-59-47-74-69-68(75-59)49(3)76-70(69)54-42-48(2)43-58(44-54)73-66-29-22-20-27-62(66)63-45-53(34-41-67(63)73)52-32-37-56(38-33-52)72(55-35-30-51(31-36-55)50-23-16-15-17-24-50)57-39-40-61-60-26-19-21-28-64(60)71(4,5)65(61)46-57/h15-17,19-24,26-46,59H,6-14,18,25,47H2,1-5H3
• InChIKey: LIAKOPJDCUMNQS-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 26.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.42
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155648199) is N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCCCCCCCCCCCC1COc2c(-c3cc(C)cc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc54)c3)sc(C)c2O1.

What is the InChIKey of N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is LIAKOPJDCUMNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H70N2O2S/c1-6-7-8-9-10-11-12-13-14-18-25-59-47-74-69-68(75-59)49(3)76-70(69)54-42-48(2)43-58(44-54)73-66-29-22-20-27-62(66)63-45-53(34-41-67(63)73)52-32-37-56(38-33-52)72(55-35-30-51(31-36-55)50-23-16-15-17-24-50)57-39-40-61-60-26-19-21-28-64(60)71(4,5)65(61)46-57/h15-17,19-24,26-46,59H,6-14,18,25,47H2,1-5H3.

What are the key properties of N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1015.42 g/mol, XLogP of 20.69, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[3-(3-dodecyl-5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-5-methylphenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155648199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).