10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine

C114H98N4O2 — CID 91269394

IUPAC10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine
SMILESCC1=C(C=CC(C)N2c3ccccc3C(C)(C)c3ccccc32)c2ccc(C=CC3C=C4C(=CC3)c3ccc(N5c6ccccc6Oc6c(CC7(C)C8=C(C=CCC8)N(c8cccc9c(C=Cc%10ccc%11c(c%10)C(C)(C)c%10cc(N%12c%13ccccc%13Oc%13ccccc%13%12)ccc%10-%11)cccc89)c8ccccc87)cccc65)cc3C4(C)C)cc2C1(C)C
InChIInChI=1S/C114H98N4O2/c1-71(115-98-37-16-12-33-88(98)111(5,6)89-34-13-17-38-99(89)115)49-59-80-72(2)110(3,4)92-65-73(53-60-82(80)92)50-51-74-54-61-83-86-64-58-79(69-96(86)112(7,8)93(83)66-74)117-104-43-22-25-48-108(104)120-109-77(30-27-45-105(109)117)70-114(11)90-35-14-18-39-100(90)118(101-40-19-15-36-91(101)114)97-44-28-31-81-76(29-26-32-87(81)97)56-52-75-55-62-84-85-63-57-78(68-95(85)113(9,10)94(84)67-75)116-102-41-20-23-46-106(102)119-107-47-24-21-42-103(107)116/h12-14,16-35,37-53,55-69,71,74H,15,36,54,70H2,1-11H3
InChIKeyAXONSMONHMKEJQ-UHFFFAOYSA-N
MW1556.06 g/mol
LogP30.55
Rot. Bonds12

About 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine

10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine (PubChem CID 91269394) has the molecular formula C114H98N4O2 and a molecular weight of 1556.06 g/mol. Its IUPAC name is 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine.

Molecular Properties

Compound Name10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine
PubChem CID91269394
Molecular FormulaC114H98N4O2
Molecular Weight1556.06 g/mol
Exact Mass1554.77
IUPAC Name10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine
SMILESCC1=C(C=CC(C)N2c3ccccc3C(C)(C)c3ccccc32)c2ccc(C=CC3C=C4C(=CC3)c3ccc(N5c6ccccc6Oc6c(CC7(C)C8=C(C=CCC8)N(c8cccc9c(C=Cc%10ccc%11c(c%10)C(C)(C)c%10cc(N%12c%13ccccc%13Oc%13ccccc%13%12)ccc%10-%11)cccc89)c8ccccc87)cccc65)cc3C4(C)C)cc2C1(C)C
InChIInChI=1S/C114H98N4O2/c1-71(115-98-37-16-12-33-88(98)111(5,6)89-34-13-17-38-99(89)115)49-59-80-72(2)110(3,4)92-65-73(53-60-82(80)92)50-51-74-54-61-83-86-64-58-79(69-96(86)112(7,8)93(83)66-74)117-104-43-22-25-48-108(104)120-109-77(30-27-45-105(109)117)70-114(11)90-35-14-18-39-100(90)118(101-40-19-15-36-91(101)114)97-44-28-31-81-76(29-26-32-87(81)97)56-52-75-55-62-84-85-63-57-78(68-95(85)113(9,10)94(84)67-75)116-102-41-20-23-46-106(102)119-107-47-24-21-42-103(107)116/h12-14,16-35,37-53,55-69,71,74H,15,36,54,70H2,1-11H3
InChIKeyAXONSMONHMKEJQ-UHFFFAOYSA-N
XLogP30.55
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001556.06
LogP ≤ 530.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine?
The IUPAC name of 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine (CID 91269394) is 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine.
What is the SMILES notation for 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine?
The canonical SMILES for 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine is CC1=C(C=CC(C)N2c3ccccc3C(C)(C)c3ccccc32)c2ccc(C=CC3C=C4C(=CC3)c3ccc(N5c6ccccc6Oc6c(CC7(C)C8=C(C=CCC8)N(c8cccc9c(C=Cc%10ccc%11c(c%10)C(C)(C)c%10cc(N%12c%13ccccc%13Oc%13ccccc%13%12)ccc%10-%11)cccc89)c8ccccc87)cccc65)cc3C4(C)C)cc2C1(C)C.
What is the InChIKey of 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine?
The InChIKey is AXONSMONHMKEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H98N4O2/c1-71(115-98-37-16-12-33-88(98)111(5,6)89-34-13-17-38-99(89)115)49-59-80-72(2)110(3,4)92-65-73(53-60-82(80)92)50-51-74-54-61-83-86-64-58-79(69-96(86)112(7,8)93(83)66-74)117-104-43-22-25-48-108(104)120-109-77(30-27-45-105(109)117)70-114(11)90-35-14-18-39-100(90)118(101-40-19-15-36-91(101)114)97-44-28-31-81-76(29-26-32-87(81)97)56-52-75-55-62-84-85-63-57-78(68-95(85)113(9,10)94(84)67-75)116-102-41-20-23-46-106(102)119-107-47-24-21-42-103(107)116/h12-14,16-35,37-53,55-69,71,74H,15,36,54,70H2,1-11H3.
What are the key properties of 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine?
10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine has a molecular weight of 1556.06 g/mol, XLogP of 30.55, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[2-[1-[3-(9,9-dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine is sourced from PubChem (CID 91269394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).