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

C79H60N2 — CID 59236462

IUPAC9-(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
SMILESCc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(/C=C/c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(C)cc(C)c8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)c1
InChIInChI=1S/C79H60N2/c1-49-39-50(2)42-59(41-49)80-75-21-13-11-19-69(75)71-47-57(31-37-77(71)80)63-35-29-55(61-15-7-9-17-65(61)63)27-23-53-25-33-67-68-34-26-54(46-74(68)79(5,6)73(67)45-53)24-28-56-30-36-64(66-18-10-8-16-62(56)66)58-32-38-78-72(48-58)70-20-12-14-22-76(70)81(78)60-43-51(3)40-52(4)44-60/h7-48H,1-6H3/b27-23+,28-24+
InChIKeyJPVCAMJXPYGELB-LMCGJEQXSA-N
MW1037.36 g/mol
LogP21.40
Rot. Bonds8

About 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

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 (PubChem CID 59236462) has the molecular formula C79H60N2 and a molecular weight of 1037.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID59236462
Molecular FormulaC79H60N2
Molecular Weight1037.36 g/mol
Exact Mass1036.48
IUPAC Name9-(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
SMILESCc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(/C=C/c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(C)cc(C)c8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)c1
InChIInChI=1S/C79H60N2/c1-49-39-50(2)42-59(41-49)80-75-21-13-11-19-69(75)71-47-57(31-37-77(71)80)63-35-29-55(61-15-7-9-17-65(61)63)27-23-53-25-33-67-68-34-26-54(46-74(68)79(5,6)73(67)45-53)24-28-56-30-36-64(66-18-10-8-16-62(56)66)58-32-38-78-72(48-58)70-20-12-14-22-76(70)81(78)60-43-51(3)40-52(4)44-60/h7-48H,1-6H3/b27-23+,28-24+
InChIKeyJPVCAMJXPYGELB-LMCGJEQXSA-N
XLogP21.40
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.36
LogP ≤ 521.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(E)-2-[7-[9-(3,5-dimethylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236659
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
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
9-(3,5-dimethylphenyl)-3-[4-[(E)-2-[7'-[(E)-2-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]carbazole
CID 59236609
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole
CID 59236371
3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole
CID 59236662
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
3-[4-[(E)-2-[7-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9-phenylcarbazole;3-[4-[(E)-2-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole;3-[(E)-2-[4-[7-[9-(3,5-dimethylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole;3-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9-(4-phenylphenyl)carbazole;3-[4-[(E)-2-[4-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 159938026
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole
CID 145340655
9-[9,9-diethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)naphthalen-1-yl]ethenyl]fluoren-2-yl]carbazole
CID 89066747
9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole
CID 123223191

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(/C=C/c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(C)cc(C)c8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)c1.
What is the InChIKey of 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?
The InChIKey is JPVCAMJXPYGELB-LMCGJEQXSA-N. The full InChI is InChI=1S/C79H60N2/c1-49-39-50(2)42-59(41-49)80-75-21-13-11-19-69(75)71-47-57(31-37-77(71)80)63-35-29-55(61-15-7-9-17-65(61)63)27-23-53-25-33-67-68-34-26-54(46-74(68)79(5,6)73(67)45-53)24-28-56-30-36-64(66-18-10-8-16-62(56)66)58-32-38-78-72(48-58)70-20-12-14-22-76(70)81(78)60-43-51(3)40-52(4)44-60/h7-48H,1-6H3/b27-23+,28-24+.
What are the key properties of 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?
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 has a molecular weight of 1037.36 g/mol, XLogP of 21.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59236462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).