2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene

C85H62 — CID 18335705

IUPAC2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene
SMILESCC(c1ccccc1)(c1ccccc1)c1cc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C=C(c5ccccc5)c5ccccc5)ccc3-4)cc2)ccc1-c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C85H62/c1-84(72-34-18-6-19-35-72,73-36-20-7-21-37-73)81-59-70(51-54-76(81)69-45-42-61(43-46-69)56-79(65-26-10-2-11-27-65)66-28-12-3-13-29-66)63-47-49-64(50-48-63)71-52-55-78-77-53-44-62(57-80(67-30-14-4-15-31-67)68-32-16-5-17-33-68)58-82(77)85(83(78)60-71,74-38-22-8-23-39-74)75-40-24-9-25-41-75/h2-60H,1H3
InChIKeyCUXOBQYSXOSKRM-UHFFFAOYSA-N
MW1083.43 g/mol
LogP21.58
Rot. Bonds14

About 2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene

2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene (PubChem CID 18335705) has the molecular formula C85H62 and a molecular weight of 1083.43 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene
PubChem CID18335705
Molecular FormulaC85H62
Molecular Weight1083.43 g/mol
Exact Mass1082.49
IUPAC Name2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene
SMILESCC(c1ccccc1)(c1ccccc1)c1cc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C=C(c5ccccc5)c5ccccc5)ccc3-4)cc2)ccc1-c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C85H62/c1-84(72-34-18-6-19-35-72,73-36-20-7-21-37-73)81-59-70(51-54-76(81)69-45-42-61(43-46-69)56-79(65-26-10-2-11-27-65)66-28-12-3-13-29-66)63-47-49-64(50-48-63)71-52-55-78-77-53-44-62(57-80(67-30-14-4-15-31-67)68-32-16-5-17-33-68)58-82(77)85(83(78)60-71,74-38-22-8-23-39-74)75-40-24-9-25-41-75/h2-60H,1H3
InChIKeyCUXOBQYSXOSKRM-UHFFFAOYSA-N
XLogP21.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.43
LogP ≤ 521.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene
CID 22932221
2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 102477561
2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]
CID 58879555
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine
CID 156902961
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 160508928
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene
CID 59459841
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine
CID 129084475

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene?
The IUPAC name of 2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene (CID 18335705) is 2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene.
What is the SMILES notation for 2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene?
The canonical SMILES for 2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene is CC(c1ccccc1)(c1ccccc1)c1cc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C=C(c5ccccc5)c5ccccc5)ccc3-4)cc2)ccc1-c1ccc(C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene?
The InChIKey is CUXOBQYSXOSKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H62/c1-84(72-34-18-6-19-35-72,73-36-20-7-21-37-73)81-59-70(51-54-76(81)69-45-42-61(43-46-69)56-79(65-26-10-2-11-27-65)66-28-12-3-13-29-66)63-47-49-64(50-48-63)71-52-55-78-77-53-44-62(57-80(67-30-14-4-15-31-67)68-32-16-5-17-33-68)58-82(77)85(83(78)60-71,74-38-22-8-23-39-74)75-40-24-9-25-41-75/h2-60H,1H3.
What are the key properties of 2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene?
2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene has a molecular weight of 1083.43 g/mol, XLogP of 21.58, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene is sourced from PubChem (CID 18335705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).