11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine

C62H54N2 — CID 89070738

IUPAC11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C3(CCCC3)c3cc(N5c6ccccc6CCc6ccccc65)ccc3-4)ccc2-c2ccc(N3C4=C(CCC=C4)CCc4ccccc43)cc21
InChIInChI=1S/C62H54N2/c1-61(2)53-37-41(23-31-49(53)50-33-29-47(39-54(50)61)63-57-17-7-3-13-43(57)25-26-44-14-4-8-18-58(44)63)21-22-42-24-32-51-52-34-30-48(40-56(52)62(55(51)38-42)35-11-12-36-62)64-59-19-9-5-15-45(59)27-28-46-16-6-10-20-60(46)64/h3,5-10,13,15-24,29-34,37-40H,4,11-12,14,25-28,35-36H2,1-2H3/b22-21+
InChIKeyRFTDZKBNDOJFRC-QURGRASLSA-N
MW827.13 g/mol
LogP16.26
Rot. Bonds4

About 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine

11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 89070738) has the molecular formula C62H54N2 and a molecular weight of 827.13 g/mol. Its IUPAC name is 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID89070738
Molecular FormulaC62H54N2
Molecular Weight827.13 g/mol
Exact Mass826.43
IUPAC Name11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C3(CCCC3)c3cc(N5c6ccccc6CCc6ccccc65)ccc3-4)ccc2-c2ccc(N3C4=C(CCC=C4)CCc4ccccc43)cc21
InChIInChI=1S/C62H54N2/c1-61(2)53-37-41(23-31-49(53)50-33-29-47(39-54(50)61)63-57-17-7-3-13-43(57)25-26-44-14-4-8-18-58(44)63)21-22-42-24-32-51-52-34-30-48(40-56(52)62(55(51)38-42)35-11-12-36-62)64-59-19-9-5-15-45(59)27-28-46-16-6-10-20-60(46)64/h3,5-10,13,15-24,29-34,37-40H,4,11-12,14,25-28,35-36H2,1-2H3/b22-21+
InChIKeyRFTDZKBNDOJFRC-QURGRASLSA-N
XLogP16.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.13
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine with MolForge

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Related Compounds

10-[7'-[(E)-2-[7'-(2,9-dihydro-1H-acridin-10-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9H-acridine
CID 89071765
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
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
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
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-[7-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
1-[8-[(E)-2-[9,9-dimethyl-7-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]dibenzothiophen-2-yl]-3,4-dihydro-2H-quinoline
CID 89070878
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'-[(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
11-[7-[(E)-2-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-ethylphenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071496
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
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 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine (CID 89070738) is 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C3(CCCC3)c3cc(N5c6ccccc6CCc6ccccc65)ccc3-4)ccc2-c2ccc(N3C4=C(CCC=C4)CCc4ccccc43)cc21.
What is the InChIKey of 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is RFTDZKBNDOJFRC-QURGRASLSA-N. The full InChI is InChI=1S/C62H54N2/c1-61(2)53-37-41(23-31-49(53)50-33-29-47(39-54(50)61)63-57-17-7-3-13-43(57)25-26-44-14-4-8-18-58(44)63)21-22-42-24-32-51-52-34-30-48(40-56(52)62(55(51)38-42)35-11-12-36-62)64-59-19-9-5-15-45(59)27-28-46-16-6-10-20-60(46)64/h3,5-10,13,15-24,29-34,37-40H,4,11-12,14,25-28,35-36H2,1-2H3/b22-21+.
What are the key properties of 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine?
11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 827.13 g/mol, XLogP of 16.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 89070738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).