10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine

C69H56N2 — CID 89071491

IUPAC10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C2(CCCC2)c2cc(/C=C/c4ccc(-c5ccc6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc6c5)c5ccccc45)ccc2-3)c2ccccc21
InChIInChI=1S/C69H56N2/c1-67(2)57-19-7-11-23-63(57)70(64-24-12-8-20-58(64)67)50-34-32-47-42-49(31-30-48(47)43-50)53-37-33-46(52-17-5-6-18-54(52)53)29-27-45-28-36-55-56-38-35-51(44-62(56)69(61(55)41-45)39-15-16-40-69)71-65-25-13-9-21-59(65)68(3,4)60-22-10-14-26-66(60)71/h5-14,17-38,41-44H,15-16,39-40H2,1-4H3/b29-27+
InChIKeyJTJZJRRWGCXTPE-ORIPQNMZSA-N
MW913.22 g/mol
LogP18.89
Rot. Bonds5

About 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine

10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine (PubChem CID 89071491) has the molecular formula C69H56N2 and a molecular weight of 913.22 g/mol. Its IUPAC name is 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine
PubChem CID89071491
Molecular FormulaC69H56N2
Molecular Weight913.22 g/mol
Exact Mass912.44
IUPAC Name10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C2(CCCC2)c2cc(/C=C/c4ccc(-c5ccc6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc6c5)c5ccccc45)ccc2-3)c2ccccc21
InChIInChI=1S/C69H56N2/c1-67(2)57-19-7-11-23-63(57)70(64-24-12-8-20-58(64)67)50-34-32-47-42-49(31-30-48(47)43-50)53-37-33-46(52-17-5-6-18-54(52)53)29-27-45-28-36-55-56-38-35-51(44-62(56)69(61(55)41-45)39-15-16-40-69)71-65-25-13-9-21-59(65)68(3,4)60-22-10-14-26-66(60)71/h5-14,17-38,41-44H,15-16,39-40H2,1-4H3/b29-27+
InChIKeyJTJZJRRWGCXTPE-ORIPQNMZSA-N
XLogP18.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.22
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine with MolForge

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Related Compounds

11-[7'-[2-(7-benzo[b][1]benzazepin-11-yl-9,9-dimethylfluoren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]benzo[b][1]benzazepine
CID 91041022
1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline
CID 89071725
10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine
CID 89071707
11-[6-[4-[(E)-2-[4-(5-benzo[b][1]benzazepin-11-yl-2-methylcyclohepta-1,4,6-trien-1-yl)-3-(1-methylcyclopentyl)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]benzo[b][1]benzazepine;ethane
CID 143984433
3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole
CID 59236161
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
10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine
CID 91608306
5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine
CID 90848407
5-[6-[4-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-6H-benzo[b][1,4]benzothiazepine
CID 90923808
9,9-dimethyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)acridine
CID 118472936
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
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

Frequently Asked Questions

What is the IUPAC name of 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine (CID 89071491) is 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(c2)C2(CCCC2)c2cc(/C=C/c4ccc(-c5ccc6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc6c5)c5ccccc45)ccc2-3)c2ccccc21.
What is the InChIKey of 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine?
The InChIKey is JTJZJRRWGCXTPE-ORIPQNMZSA-N. The full InChI is InChI=1S/C69H56N2/c1-67(2)57-19-7-11-23-63(57)70(64-24-12-8-20-58(64)67)50-34-32-47-42-49(31-30-48(47)43-50)53-37-33-46(52-17-5-6-18-54(52)53)29-27-45-28-36-55-56-38-35-51(44-62(56)69(61(55)41-45)39-15-16-40-69)71-65-25-13-9-21-59(65)68(3,4)60-22-10-14-26-66(60)71/h5-14,17-38,41-44H,15-16,39-40H2,1-4H3/b29-27+.
What are the key properties of 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine?
10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine has a molecular weight of 913.22 g/mol, XLogP of 18.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine is sourced from PubChem (CID 89071491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).