9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole

C56H44N2 — CID 140923989

IUPAC9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H44N2/c1-37-5-29-53-49(33-37)50-34-38(2)6-30-54(50)57(53)47-25-17-43(18-26-47)11-9-41-13-21-45(22-14-41)46-23-15-42(16-24-46)10-12-44-19-27-48(28-20-44)58-55-31-7-39(3)35-51(55)52-36-40(4)8-32-56(52)58/h5-36H,1-4H3/b11-9+,12-10+
InChIKeyRGGDCWXKTMVWIJ-WGDLNXRISA-N
MW744.98 g/mol
LogP15.12
Rot. Bonds7

About 9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole

9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole (PubChem CID 140923989) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is 9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
PubChem CID140923989
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC Name9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H44N2/c1-37-5-29-53-49(33-37)50-34-38(2)6-30-54(50)57(53)47-25-17-43(18-26-47)11-9-41-13-21-45(22-14-41)46-23-15-42(16-24-46)10-12-44-19-27-48(28-20-44)58-55-31-7-39(3)35-51(55)52-36-40(4)8-32-56(52)58/h5-36H,1-4H3/b11-9+,12-10+
InChIKeyRGGDCWXKTMVWIJ-WGDLNXRISA-N
XLogP15.12
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 515.12
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

3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole
CID 72640522
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
[9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 159127596
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole (CID 140923989) is 9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole?
The InChIKey is RGGDCWXKTMVWIJ-WGDLNXRISA-N. The full InChI is InChI=1S/C56H44N2/c1-37-5-29-53-49(33-37)50-34-38(2)6-30-54(50)57(53)47-25-17-43(18-26-47)11-9-41-13-21-45(22-14-41)46-23-15-42(16-24-46)10-12-44-19-27-48(28-20-44)58-55-31-7-39(3)35-51(55)52-36-40(4)8-32-56(52)58/h5-36H,1-4H3/b11-9+,12-10+.
What are the key properties of 9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole?
9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 744.98 g/mol, XLogP of 15.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 140923989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).