10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine

C116H96N4 — CID 91291500

IUPAC10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine
SMILESCC1(C)C2=C(C=CC(C)(N3c4ccccc4Cc4c(CC5(C)c6ccccc6N(c6cccc7c(C=Cc8ccc9c(c8)C(C)(C)c8cc(N%10c%11ccccc%11Cc%11ccccc%11%10)ccc8-9)cccc67)c6ccccc65)cccc43)C2)c2ccc(C=Cc3ccc4c(c3)C(C)(C)c3cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc3-4)cc21
InChIInChI=1S/C116H96N4/c1-111(2)92-35-14-21-42-107(92)118(108-43-22-15-36-93(108)111)82-56-61-88-84-57-51-73(64-96(84)112(3,4)100(88)70-82)48-49-74-52-59-86-89-62-63-115(9,72-101(89)114(7,8)98(86)65-74)120-104-41-20-13-30-79(104)68-91-80(32-26-47-106(91)120)71-116(10)94-37-16-23-44-109(94)119(110-45-24-17-38-95(110)116)105-46-27-33-83-76(31-25-34-90(83)105)54-50-75-53-58-85-87-60-55-81(69-99(87)113(5,6)97(85)66-75)117-102-39-18-11-28-77(102)67-78-29-12-19-40-103(78)117/h11-66,69-70H,67-68,71-72H2,1-10H3
InChIKeyQJEGQGJMKDZATK-UHFFFAOYSA-N
MW1546.07 g/mol
LogP30.11
Rot. Bonds10

About 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine

10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine (PubChem CID 91291500) has the molecular formula C116H96N4 and a molecular weight of 1546.07 g/mol. Its IUPAC name is 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine.

Molecular Properties

Compound Name10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine
PubChem CID91291500
Molecular FormulaC116H96N4
Molecular Weight1546.07 g/mol
Exact Mass1544.76
IUPAC Name10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine
SMILESCC1(C)C2=C(C=CC(C)(N3c4ccccc4Cc4c(CC5(C)c6ccccc6N(c6cccc7c(C=Cc8ccc9c(c8)C(C)(C)c8cc(N%10c%11ccccc%11Cc%11ccccc%11%10)ccc8-9)cccc67)c6ccccc65)cccc43)C2)c2ccc(C=Cc3ccc4c(c3)C(C)(C)c3cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc3-4)cc21
InChIInChI=1S/C116H96N4/c1-111(2)92-35-14-21-42-107(92)118(108-43-22-15-36-93(108)111)82-56-61-88-84-57-51-73(64-96(84)112(3,4)100(88)70-82)48-49-74-52-59-86-89-62-63-115(9,72-101(89)114(7,8)98(86)65-74)120-104-41-20-13-30-79(104)68-91-80(32-26-47-106(91)120)71-116(10)94-37-16-23-44-109(94)119(110-45-24-17-38-95(110)116)105-46-27-33-83-76(31-25-34-90(83)105)54-50-75-53-58-85-87-60-55-81(69-99(87)113(5,6)97(85)66-75)117-102-39-18-11-28-77(102)67-78-29-12-19-40-103(78)117/h11-66,69-70H,67-68,71-72H2,1-10H3
InChIKeyQJEGQGJMKDZATK-UHFFFAOYSA-N
XLogP30.11
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001546.07
LogP ≤ 530.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine with MolForge

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Related Compounds

11-[7-[(E)-2-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 143984325
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine
CID 89071833
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
11-[7-[(E)-2-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-ethylphenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071496
11-[5-[(E)-2-[7'-(5,6,9,10-tetrahydrobenzo[b][1]benzazepin-11-yl)spiro[1,3,4,5-tetrahydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070945
1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline
CID 91217577
10-[9,9-dimethyl-7-[(E)-2-(12-phenoxazin-10-ylchrysen-6-yl)ethenyl]fluoren-2-yl]phenoxazine
CID 89071771
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
11-[7-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
1-[5-[2-[7-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-4,4-dimethyl-2,3-dihydroquinoline
CID 91209856

Frequently Asked Questions

What is the IUPAC name of 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine?
The IUPAC name of 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine (CID 91291500) is 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine.
What is the SMILES notation for 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine?
The canonical SMILES for 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine is CC1(C)C2=C(C=CC(C)(N3c4ccccc4Cc4c(CC5(C)c6ccccc6N(c6cccc7c(C=Cc8ccc9c(c8)C(C)(C)c8cc(N%10c%11ccccc%11Cc%11ccccc%11%10)ccc8-9)cccc67)c6ccccc65)cccc43)C2)c2ccc(C=Cc3ccc4c(c3)C(C)(C)c3cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc3-4)cc21.
What is the InChIKey of 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine?
The InChIKey is QJEGQGJMKDZATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H96N4/c1-111(2)92-35-14-21-42-107(92)118(108-43-22-15-36-93(108)111)82-56-61-88-84-57-51-73(64-96(84)112(3,4)100(88)70-82)48-49-74-52-59-86-89-62-63-115(9,72-101(89)114(7,8)98(86)65-74)120-104-41-20-13-30-79(104)68-91-80(32-26-47-106(91)120)71-116(10)94-37-16-23-44-109(94)119(110-45-24-17-38-95(110)116)105-46-27-33-83-76(31-25-34-90(83)105)54-50-75-53-58-85-87-60-55-81(69-99(87)113(5,6)97(85)66-75)117-102-39-18-11-28-77(102)67-78-29-12-19-40-103(78)117/h11-66,69-70H,67-68,71-72H2,1-10H3.
What are the key properties of 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine?
10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine has a molecular weight of 1546.07 g/mol, XLogP of 30.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine is sourced from PubChem (CID 91291500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).