10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine

C63H54N2 — CID 89070905

IUPAC10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
SMILESCC1(C)C2=C(CCC=C2)N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(-c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)c6ccccc56)cc4)ccc2-3)c2ccccc21
InChIInChI=1S/C63H54N2/c1-61(2)50-19-9-13-23-57(50)64(58-24-14-10-20-51(58)61)44-34-36-48-47-35-31-42(39-54(47)63(5,6)55(48)40-44)28-27-41-29-32-43(33-30-41)45-37-38-56(49-18-8-7-17-46(45)49)65-59-25-15-11-21-52(59)62(3,4)53-22-12-16-26-60(53)65/h7-13,15-23,25-40H,14,24H2,1-6H3/b28-27+
InChIKeySEQPOOAJRNKQDG-BYYHNAKLSA-N
MW839.14 g/mol
LogP17.13
Rot. Bonds5

About 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine

10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine (PubChem CID 89070905) has the molecular formula C63H54N2 and a molecular weight of 839.14 g/mol. Its IUPAC name is 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
PubChem CID89070905
Molecular FormulaC63H54N2
Molecular Weight839.14 g/mol
Exact Mass838.43
IUPAC Name10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
SMILESCC1(C)C2=C(CCC=C2)N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(-c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)c6ccccc56)cc4)ccc2-3)c2ccccc21
InChIInChI=1S/C63H54N2/c1-61(2)50-19-9-13-23-57(50)64(58-24-14-10-20-51(58)61)44-34-36-48-47-35-31-42(39-54(47)63(5,6)55(48)40-44)28-27-41-29-32-43(33-30-41)45-37-38-56(49-18-8-7-17-46(45)49)65-59-25-15-11-21-52(59)62(3,4)53-22-12-16-26-60(53)65/h7-13,15-23,25-40H,14,24H2,1-6H3/b28-27+
InChIKeySEQPOOAJRNKQDG-BYYHNAKLSA-N
XLogP17.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.14
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine with MolForge

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Related Compounds

10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
CID 90764809
10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine
CID 90875628
10-[7-[2-[4-(4-benzo[b][1]benzazepin-11-ylnaphthalen-1-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,5-dimethylphenothiazine
CID 91615182
10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 89111087
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
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
5-[4-[4-[2-[9,9-dimethyl-7-(1-methyl-10-phenyl-1,2-dihydrophenazin-5-yl)fluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 90758390
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
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
ethane;5-methyl-10-[7'-[(E)-2-[4-[4-(10-phenylphenazin-5-yl)naphthalen-1-yl]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984217
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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine (CID 89070905) is 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine is CC1(C)C2=C(CCC=C2)N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(-c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)c6ccccc56)cc4)ccc2-3)c2ccccc21.
What is the InChIKey of 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine?
The InChIKey is SEQPOOAJRNKQDG-BYYHNAKLSA-N. The full InChI is InChI=1S/C63H54N2/c1-61(2)50-19-9-13-23-57(50)64(58-24-14-10-20-51(58)61)44-34-36-48-47-35-31-42(39-54(47)63(5,6)55(48)40-44)28-27-41-29-32-43(33-30-41)45-37-38-56(49-18-8-7-17-46(45)49)65-59-25-15-11-21-52(59)62(3,4)53-22-12-16-26-60(53)65/h7-13,15-23,25-40H,14,24H2,1-6H3/b28-27+.
What are the key properties of 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine?
10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine has a molecular weight of 839.14 g/mol, XLogP of 17.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine is sourced from PubChem (CID 89070905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).