10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine

C94H70N2 — CID 89111204

IUPAC10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4ccc5c(c4)C(C4=CCCC=C4)(c4ccccc4)c4ccccc4-5)c3c2)c2ccccc21
InChIInChI=1S/C94H70N2/c1-91(2)79-41-21-25-45-85(79)95(86-46-26-22-42-80(86)91)67-51-55-73-75(59-67)89(61-49-53-71-69-37-17-19-39-77(69)93(83(71)57-61,63-29-9-5-10-30-63)64-31-11-6-12-32-64)74-56-52-68(96-87-47-27-23-43-81(87)92(3,4)82-44-24-28-48-88(82)96)60-76(74)90(73)62-50-54-72-70-38-18-20-40-78(70)94(84(72)58-62,65-33-13-7-14-34-65)66-35-15-8-16-36-66/h5-7,9-15,17-60H,8,16H2,1-4H3
InChIKeyTWODDMIVKHSXBX-UHFFFAOYSA-N
MW1227.61 g/mol
LogP24.50
Rot. Bonds8

About 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine

10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine (PubChem CID 89111204) has the molecular formula C94H70N2 and a molecular weight of 1227.61 g/mol. Its IUPAC name is 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine
PubChem CID89111204
Molecular FormulaC94H70N2
Molecular Weight1227.61 g/mol
Exact Mass1226.55
IUPAC Name10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4ccc5c(c4)C(C4=CCCC=C4)(c4ccccc4)c4ccccc4-5)c3c2)c2ccccc21
InChIInChI=1S/C94H70N2/c1-91(2)79-41-21-25-45-85(79)95(86-46-26-22-42-80(86)91)67-51-55-73-75(59-67)89(61-49-53-71-69-37-17-19-39-77(69)93(83(71)57-61,63-29-9-5-10-30-63)64-31-11-6-12-32-64)74-56-52-68(96-87-47-27-23-43-81(87)92(3,4)82-44-24-28-48-88(82)96)60-76(74)90(73)62-50-54-72-70-38-18-20-40-78(70)94(84(72)58-62,65-33-13-7-14-34-65)66-35-15-8-16-36-66/h5-7,9-15,17-60H,8,16H2,1-4H3
InChIKeyTWODDMIVKHSXBX-UHFFFAOYSA-N
XLogP24.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.61
LogP ≤ 524.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine (CID 89111204) is 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4ccc5c(c4)C(C4=CCCC=C4)(c4ccccc4)c4ccccc4-5)c3c2)c2ccccc21.
What is the InChIKey of 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine?
The InChIKey is TWODDMIVKHSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H70N2/c1-91(2)79-41-21-25-45-85(79)95(86-46-26-22-42-80(86)91)67-51-55-73-75(59-67)89(61-49-53-71-69-37-17-19-39-77(69)93(83(71)57-61,63-29-9-5-10-30-63)64-31-11-6-12-32-64)74-56-52-68(96-87-47-27-23-43-81(87)92(3,4)82-44-24-28-48-88(82)96)60-76(74)90(73)62-50-54-72-70-38-18-20-40-78(70)94(84(72)58-62,65-33-13-7-14-34-65)66-35-15-8-16-36-66/h5-7,9-15,17-60H,8,16H2,1-4H3.
What are the key properties of 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine?
10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine has a molecular weight of 1227.61 g/mol, XLogP of 24.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 89111204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).