3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole

C83H56N2 — CID 59236161

IUPAC3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2ccc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c4ccccc34)cc21
InChIInChI=1S/C83H56N2/c1-83(2)77-47-53(27-31-57-35-43-67(69-21-9-7-19-65(57)69)61-37-45-81-75(51-61)73-23-11-13-25-79(73)84(81)63-39-33-55-15-3-5-17-59(55)49-63)29-41-71(77)72-42-30-54(48-78(72)83)28-32-58-36-44-68(70-22-10-8-20-66(58)70)62-38-46-82-76(52-62)74-24-12-14-26-80(74)85(82)64-40-34-56-16-4-6-18-60(56)50-64/h3-52H,1-2H3/b31-27+,32-28+
InChIKeyDKCVWFNYWBRWAV-WWQQVGJXSA-N
MW1081.38 g/mol
LogP22.47
Rot. Bonds8

About 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole

3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 59236161) has the molecular formula C83H56N2 and a molecular weight of 1081.38 g/mol. Its IUPAC name is 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole
PubChem CID59236161
Molecular FormulaC83H56N2
Molecular Weight1081.38 g/mol
Exact Mass1080.44
IUPAC Name3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2ccc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c4ccccc34)cc21
InChIInChI=1S/C83H56N2/c1-83(2)77-47-53(27-31-57-35-43-67(69-21-9-7-19-65(57)69)61-37-45-81-75(51-61)73-23-11-13-25-79(73)84(81)63-39-33-55-15-3-5-17-59(55)49-63)29-41-71(77)72-42-30-54(48-78(72)83)28-32-58-36-44-68(70-22-10-8-20-66(58)70)62-38-46-82-76(52-62)74-24-12-14-26-80(74)85(82)64-40-34-56-16-4-6-18-60(56)50-64/h3-52H,1-2H3/b31-27+,32-28+
InChIKeyDKCVWFNYWBRWAV-WWQQVGJXSA-N
XLogP22.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.38
LogP ≤ 522.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole with MolForge

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Related Compounds

9-naphthalen-2-yl-3-[4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]indeno[1,2-b]fluoren-8-yl]ethenyl]phenyl]carbazole
CID 59236365
9-(3,5-dimethylphenyl)-3-[4-[(E)-2-[7-[(E)-2-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]carbazole
CID 59236462
3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole
CID 59236389
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
CID 59236649
9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 59236285
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
CID 59236373
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
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
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
CID 59221316
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole?
The IUPAC name of 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole (CID 59236161) is 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole is CC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2ccc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c4ccccc34)cc21.
What is the InChIKey of 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole?
The InChIKey is DKCVWFNYWBRWAV-WWQQVGJXSA-N. The full InChI is InChI=1S/C83H56N2/c1-83(2)77-47-53(27-31-57-35-43-67(69-21-9-7-19-65(57)69)61-37-45-81-75(51-61)73-23-11-13-25-79(73)84(81)63-39-33-55-15-3-5-17-59(55)49-63)29-41-71(77)72-42-30-54(48-78(72)83)28-32-58-36-44-68(70-22-10-8-20-66(58)70)62-38-46-82-76(52-62)74-24-12-14-26-80(74)85(82)64-40-34-56-16-4-6-18-60(56)50-64/h3-52H,1-2H3/b31-27+,32-28+.
What are the key properties of 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole?
3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole has a molecular weight of 1081.38 g/mol, XLogP of 22.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 59236161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).