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

C68H56N4 — CID 143984217

IUPACethane;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
SMILESCC.CN1c2ccccc2N(c2ccc3c(c2)C2(CCCC2)c2cc(/C=C/c4ccc(-c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)c6ccccc56)cc4)ccc2-3)c2ccccc21
InChIInChI=1S/C66H50N4.C2H6/c1-67-58-21-7-9-23-60(58)69(61-24-10-8-22-59(61)67)49-36-38-53-52-37-33-46(43-55(52)66(56(53)44-49)41-15-16-42-66)30-29-45-31-34-47(35-32-45)50-39-40-57(54-20-6-5-19-51(50)54)70-64-27-13-11-25-62(64)68(48-17-3-2-4-18-48)63-26-12-14-28-65(63)70;1-2/h2-14,17-40,43-44H,15-16,41-42H2,1H3;1-2H3/b30-29+;
InChIKeyBLMQNEVOQRVQST-BXGDTPBJSA-N
MW929.22 g/mol
LogP19.35
Rot. Bonds6

About 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

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 (PubChem CID 143984217) has the molecular formula C68H56N4 and a molecular weight of 929.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID143984217
Molecular FormulaC68H56N4
Molecular Weight929.22 g/mol
Exact Mass928.45
IUPAC Nameethane;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
SMILESCC.CN1c2ccccc2N(c2ccc3c(c2)C2(CCCC2)c2cc(/C=C/c4ccc(-c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)c6ccccc56)cc4)ccc2-3)c2ccccc21
InChIInChI=1S/C66H50N4.C2H6/c1-67-58-21-7-9-23-60(58)69(61-24-10-8-22-59(61)67)49-36-38-53-52-37-33-46(43-55(52)66(56(53)44-49)41-15-16-42-66)30-29-45-31-34-47(35-32-45)50-39-40-57(54-20-6-5-19-51(50)54)70-64-27-13-11-25-62(64)68(48-17-3-2-4-18-48)63-26-12-14-28-65(63)70;1-2/h2-14,17-40,43-44H,15-16,41-42H2,1H3;1-2H3/b30-29+;
InChIKeyBLMQNEVOQRVQST-BXGDTPBJSA-N
XLogP19.35
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.22
LogP ≤ 519.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984195
10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
CID 90764809
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
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
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-[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
10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine
CID 91608306
2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]
CID 59217211
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
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
1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 89071564
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CN1c2ccccc2N(c2ccc3c(c2)C2(CCCC2)c2cc(/C=C/c4ccc(-c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)c6ccccc56)cc4)ccc2-3)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is BLMQNEVOQRVQST-BXGDTPBJSA-N. The full InChI is InChI=1S/C66H50N4.C2H6/c1-67-58-21-7-9-23-60(58)69(61-24-10-8-22-59(61)67)49-36-38-53-52-37-33-46(43-55(52)66(56(53)44-49)41-15-16-42-66)30-29-45-31-34-47(35-32-45)50-39-40-57(54-20-6-5-19-51(50)54)70-64-27-13-11-25-62(64)68(48-17-3-2-4-18-48)63-26-12-14-28-65(63)70;1-2/h2-14,17-40,43-44H,15-16,41-42H2,1H3;1-2H3/b30-29+;.
What are the key properties of 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?
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 has a molecular weight of 929.22 g/mol, XLogP of 19.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143984217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).