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

C102H66N2 — CID 59236244

IUPAC3-[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
SMILESC(=C/c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc3-4)ccc1-2)\c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C102H66N2/c1-5-21-77(22-6-1)101(78-23-7-2-8-24-78)93-61-69(39-37-67-41-47-71(48-42-67)73-53-59-99-89(63-73)87-31-15-19-35-97(87)103(99)79-25-9-3-10-26-79)45-55-83(93)85-57-51-75(65-95(85)101)76-52-58-86-84-56-46-70(62-94(84)102(96(86)66-76)91-33-17-13-29-81(91)82-30-14-18-34-92(82)102)40-38-68-43-49-72(50-44-68)74-54-60-100-90(64-74)88-32-16-20-36-98(88)104(100)80-27-11-4-12-28-80/h1-66H/b39-37+,40-38+
InChIKeyZIRLJBSLZWCWHM-HVMBLDELSA-N
MW1319.66 g/mol
LogP25.93
Rot. Bonds11

About 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

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 (PubChem CID 59236244) has the molecular formula C102H66N2 and a molecular weight of 1319.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID59236244
Molecular FormulaC102H66N2
Molecular Weight1319.66 g/mol
Exact Mass1318.52
IUPAC Name3-[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
SMILESC(=C/c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc3-4)ccc1-2)\c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C102H66N2/c1-5-21-77(22-6-1)101(78-23-7-2-8-24-78)93-61-69(39-37-67-41-47-71(48-42-67)73-53-59-99-89(63-73)87-31-15-19-35-97(87)103(99)79-25-9-3-10-26-79)45-55-83(93)85-57-51-75(65-95(85)101)76-52-58-86-84-56-46-70(62-94(84)102(96(86)66-76)91-33-17-13-29-81(91)82-30-14-18-34-92(82)102)40-38-68-43-49-72(50-44-68)74-54-60-100-90(64-74)88-32-16-20-36-98(88)104(100)80-27-11-4-12-28-80/h1-66H/b39-37+,40-38+
InChIKeyZIRLJBSLZWCWHM-HVMBLDELSA-N
XLogP25.93
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001319.66
LogP ≤ 525.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236586
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
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
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
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
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
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-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole
CID 59236105
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C(=C/c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc3-4)ccc1-2)\c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZIRLJBSLZWCWHM-HVMBLDELSA-N. The full InChI is InChI=1S/C102H66N2/c1-5-21-77(22-6-1)101(78-23-7-2-8-24-78)93-61-69(39-37-67-41-47-71(48-42-67)73-53-59-99-89(63-73)87-31-15-19-35-97(87)103(99)79-25-9-3-10-26-79)45-55-83(93)85-57-51-75(65-95(85)101)76-52-58-86-84-56-46-70(62-94(84)102(96(86)66-76)91-33-17-13-29-81(91)82-30-14-18-34-92(82)102)40-38-68-43-49-72(50-44-68)74-54-60-100-90(64-74)88-32-16-20-36-98(88)104(100)80-27-11-4-12-28-80/h1-66H/b39-37+,40-38+.
What are the key properties of 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?
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 has a molecular weight of 1319.66 g/mol, XLogP of 25.93, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59236244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).