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

C73H58N2 — CID 59236609

IUPAC9-(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
SMILESCc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc(/C=C/c5ccc6c(c5)C5(CCCC5)c5cc(/C=C/c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(C)cc(C)c8)cc7)ccc5-6)cc4)ccc32)c1
InChIInChI=1S/C73H58N2/c1-47-37-48(2)40-59(39-47)74-69-13-7-5-11-63(69)65-45-57(29-33-71(65)74)55-25-19-51(20-26-55)15-17-53-23-31-61-62-32-24-54(44-68(62)73(67(61)43-53)35-9-10-36-73)18-16-52-21-27-56(28-22-52)58-30-34-72-66(46-58)64-12-6-8-14-70(64)75(72)60-41-49(3)38-50(4)42-60/h5-8,11-34,37-46H,9-10,35-36H2,1-4H3/b17-15+,18-16+
InChIKeyMCCPASJJJKBOIR-YTEMWHBBSA-N
MW963.28 g/mol
LogP19.63
Rot. Bonds8

About 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

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 (PubChem CID 59236609) has the molecular formula C73H58N2 and a molecular weight of 963.28 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]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-(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
PubChem CID59236609
Molecular FormulaC73H58N2
Molecular Weight963.28 g/mol
Exact Mass962.46
IUPAC Name9-(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
SMILESCc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc(/C=C/c5ccc6c(c5)C5(CCCC5)c5cc(/C=C/c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(C)cc(C)c8)cc7)ccc5-6)cc4)ccc32)c1
InChIInChI=1S/C73H58N2/c1-47-37-48(2)40-59(39-47)74-69-13-7-5-11-63(69)65-45-57(29-33-71(65)74)55-25-19-51(20-26-55)15-17-53-23-31-61-62-32-24-54(44-68(62)73(67(61)43-53)35-9-10-36-73)18-16-52-21-27-56(28-22-52)58-30-34-72-66(46-58)64-12-6-8-14-70(64)75(72)60-41-49(3)38-50(4)42-60/h5-8,11-34,37-46H,9-10,35-36H2,1-4H3/b17-15+,18-16+
InChIKeyMCCPASJJJKBOIR-YTEMWHBBSA-N
XLogP19.63
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.28
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
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
9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole
CID 59236473
9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 59236268
5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947464
9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 89093907
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-[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
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
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733

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]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]carbazole?
The IUPAC name of 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) is 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.
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]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]carbazole?
The canonical SMILES for 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 is Cc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc(/C=C/c5ccc6c(c5)C5(CCCC5)c5cc(/C=C/c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(C)cc(C)c8)cc7)ccc5-6)cc4)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]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]carbazole?
The InChIKey is MCCPASJJJKBOIR-YTEMWHBBSA-N. The full InChI is InChI=1S/C73H58N2/c1-47-37-48(2)40-59(39-47)74-69-13-7-5-11-63(69)65-45-57(29-33-71(65)74)55-25-19-51(20-26-55)15-17-53-23-31-61-62-32-24-54(44-68(62)73(67(61)43-53)35-9-10-36-73)18-16-52-21-27-56(28-22-52)58-30-34-72-66(46-58)64-12-6-8-14-70(64)75(72)60-41-49(3)38-50(4)42-60/h5-8,11-34,37-46H,9-10,35-36H2,1-4H3/b17-15+,18-16+.
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]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]carbazole?
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 has a molecular weight of 963.28 g/mol, XLogP of 19.63, 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]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]carbazole is sourced from PubChem (CID 59236609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).