9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine

C73H58N2 — CID 59236577

IUPAC9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine
SMILESCN1c2ccccc2C(C)(C)c2ccc(-c3ccc(/C=C/c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(/C=C/c6ccc(-c7ccc8c(c7)N(C)c7ccccc7C8(C)C)cc6)ccc4-5)cc3)cc21
InChIInChI=1S/C73H58N2/c1-71(2)61-19-11-13-21-67(61)74(5)69-45-53(37-41-63(69)71)51-33-27-47(28-34-51)23-25-49-31-39-57-58-40-32-50(44-66(58)73(65(57)43-49)59-17-9-7-15-55(59)56-16-8-10-18-60(56)73)26-24-48-29-35-52(36-30-48)54-38-42-64-70(46-54)75(6)68-22-14-12-20-62(68)72(64,3)4/h7-46H,1-6H3/b25-23+,26-24+
InChIKeyHQUAUCOVXTUUHG-OGGGYYITSA-N
MW963.28 g/mol
LogP18.52
Rot. Bonds6

About 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine

9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine (PubChem CID 59236577) has the molecular formula C73H58N2 and a molecular weight of 963.28 g/mol. Its IUPAC name is 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine.

Molecular Properties

Compound Name9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine
PubChem CID59236577
Molecular FormulaC73H58N2
Molecular Weight963.28 g/mol
Exact Mass962.46
IUPAC Name9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine
SMILESCN1c2ccccc2C(C)(C)c2ccc(-c3ccc(/C=C/c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(/C=C/c6ccc(-c7ccc8c(c7)N(C)c7ccccc7C8(C)C)cc6)ccc4-5)cc3)cc21
InChIInChI=1S/C73H58N2/c1-71(2)61-19-11-13-21-67(61)74(5)69-45-53(37-41-63(69)71)51-33-27-47(28-34-51)23-25-49-31-39-57-58-40-32-50(44-66(58)73(65(57)43-49)59-17-9-7-15-55(59)56-16-8-10-18-60(56)73)26-24-48-29-35-52(36-30-48)54-38-42-64-70(46-54)75(6)68-22-14-12-20-62(68)72(64,3)4/h7-46H,1-6H3/b25-23+,26-24+
InChIKeyHQUAUCOVXTUUHG-OGGGYYITSA-N
XLogP18.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.28
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine with MolForge

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Related Compounds

11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59236687
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217271
9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236693
3-[4-[(E)-2-[7'-[9,9-diphenyl-7-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]fluoren-2-yl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236244
9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
CID 129258942
9,9,10-trimethylacridine
CID 610451
10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine
CID 89071052
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
CID 72540036
9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236656
9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 59236572

Frequently Asked Questions

What is the IUPAC name of 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine?
The IUPAC name of 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine (CID 59236577) is 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine.
What is the SMILES notation for 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine?
The canonical SMILES for 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine is CN1c2ccccc2C(C)(C)c2ccc(-c3ccc(/C=C/c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(/C=C/c6ccc(-c7ccc8c(c7)N(C)c7ccccc7C8(C)C)cc6)ccc4-5)cc3)cc21.
What is the InChIKey of 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine?
The InChIKey is HQUAUCOVXTUUHG-OGGGYYITSA-N. The full InChI is InChI=1S/C73H58N2/c1-71(2)61-19-11-13-21-67(61)74(5)69-45-53(37-41-63(69)71)51-33-27-47(28-34-51)23-25-49-31-39-57-58-40-32-50(44-66(58)73(65(57)43-49)59-17-9-7-15-55(59)56-16-8-10-18-60(56)73)26-24-48-29-35-52(36-30-48)54-38-42-64-70(46-54)75(6)68-22-14-12-20-62(68)72(64,3)4/h7-46H,1-6H3/b25-23+,26-24+.
What are the key properties of 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine?
9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine has a molecular weight of 963.28 g/mol, XLogP of 18.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine is sourced from PubChem (CID 59236577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).