10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine

C73H60N2 — CID 91044338

IUPAC10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine
SMILESC=CC(=CC1=C(C)c2ccc(C=Cc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N5CCCc6ccccc65)ccc3-4)cc2C12Cc1ccccc1C2)N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C73H60N2/c1-5-57(75-69-32-18-15-29-62(69)71(3,4)63-30-16-19-33-70(63)75)45-64-49(2)59-39-36-50(43-65(59)72(64)47-53-22-12-13-23-54(53)48-72)34-35-51-37-40-60-61-41-38-58(74-42-20-24-52-21-14-17-31-68(52)74)46-67(61)73(66(60)44-51,55-25-8-6-9-26-55)56-27-10-7-11-28-56/h5-19,21-23,25-41,43-46H,1,20,24,42,47-48H2,2-4H3
InChIKeyJXIODELYEHRRNT-UHFFFAOYSA-N
MW965.30 g/mol
LogP17.68
Rot. Bonds8

About 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine

10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine (PubChem CID 91044338) has the molecular formula C73H60N2 and a molecular weight of 965.30 g/mol. Its IUPAC name is 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine
PubChem CID91044338
Molecular FormulaC73H60N2
Molecular Weight965.30 g/mol
Exact Mass964.48
IUPAC Name10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine
SMILESC=CC(=CC1=C(C)c2ccc(C=Cc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N5CCCc6ccccc65)ccc3-4)cc2C12Cc1ccccc1C2)N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C73H60N2/c1-5-57(75-69-32-18-15-29-62(69)71(3,4)63-30-16-19-33-70(63)75)45-64-49(2)59-39-36-50(43-65(59)72(64)47-53-22-12-13-23-54(53)48-72)34-35-51-37-40-60-61-41-38-58(74-42-20-24-52-21-14-17-31-68(52)74)46-67(61)73(66(60)44-51,55-25-8-6-9-26-55)56-27-10-7-11-28-56/h5-19,21-23,25-41,43-46H,1,20,24,42,47-48H2,2-4H3
InChIKeyJXIODELYEHRRNT-UHFFFAOYSA-N
XLogP17.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.30
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine with MolForge

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Related Compounds

1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 90809411
10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine
CID 91109293
1-[7-[(E)-2-[2-ethenyl-3,3-diphenyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071530
1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 91214986
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-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine
CID 90962170
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
1-[6-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]pyren-1-yl]-3,4-dihydro-2H-quinoline
CID 89071913
10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine
CID 89070990
10-[8-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl]-9,9-dimethylacridine
CID 90948787
10-[7-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9,9a-dihydro-4aH-acridine
CID 89071603
1-[7-[(E)-2-[12-(3,4-dihydro-2H-quinolin-1-yl)chrysen-6-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071639

Frequently Asked Questions

What is the IUPAC name of 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine (CID 91044338) is 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine is C=CC(=CC1=C(C)c2ccc(C=Cc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N5CCCc6ccccc65)ccc3-4)cc2C12Cc1ccccc1C2)N1c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine?
The InChIKey is JXIODELYEHRRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H60N2/c1-5-57(75-69-32-18-15-29-62(69)71(3,4)63-30-16-19-33-70(63)75)45-64-49(2)59-39-36-50(43-65(59)72(64)47-53-22-12-13-23-54(53)48-72)34-35-51-37-40-60-61-41-38-58(74-42-20-24-52-21-14-17-31-68(52)74)46-67(61)73(66(60)44-51,55-25-8-6-9-26-55)56-27-10-7-11-28-56/h5-19,21-23,25-41,43-46H,1,20,24,42,47-48H2,2-4H3.
What are the key properties of 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine?
10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine has a molecular weight of 965.30 g/mol, XLogP of 17.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 91044338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).