9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole

C42H28N2 — CID 155666003

IUPAC9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole
SMILESC(=Cn1c2ccccc2c2ccccc21)c1c2ccccc2c(C=Cn2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C42H28N2/c1-2-14-30-29(13-1)33(25-27-43-39-21-9-5-17-35(39)36-18-6-10-22-40(36)43)31-15-3-4-16-32(31)34(30)26-28-44-41-23-11-7-19-37(41)38-20-8-12-24-42(38)44/h1-28H
InChIKeyUDOMPLMHAIJMRD-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.46
Rot. Bonds4

About 9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole

9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole (PubChem CID 155666003) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole.

Molecular Properties

Compound Name9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole
PubChem CID155666003
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole
SMILESC(=Cn1c2ccccc2c2ccccc21)c1c2ccccc2c(C=Cn2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C42H28N2/c1-2-14-30-29(13-1)33(25-27-43-39-21-9-5-17-35(39)36-18-6-10-22-40(36)43)31-15-3-4-16-32(31)34(30)26-28-44-41-23-11-7-19-37(41)38-20-8-12-24-42(38)44/h1-28H
InChIKeyUDOMPLMHAIJMRD-UHFFFAOYSA-N
XLogP11.46
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(2-phenylethenyl)carbazole
CID 3728958
9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole
CID 138491975
9-[(E)-3,3-dimethylbut-1-enyl]carbazole
CID 138965520
9-ethenylcarbazole;dihydrochloride
CID 90094696
9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole
CID 53235575
1-carbazol-9-yl-N-phenylmethanimine
CID 156861603
2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole
CID 118404920
10-carbazol-9-ylanthracene-9-carbaldehyde
CID 134598541
9-bromo-10-[(E)-2-phenylethenyl]anthracene
CID 102276385
7-(1-carbazol-9-ylethenyl)-4-[(E)-2-carbazol-9-ylethenyl]-1,2,3-benzothiadiazole
CID 102077996
ethane;bis(9-methylcarbazole)
CID 159710949
9-ethenyl-3-iodocarbazole
CID 2223606

Frequently Asked Questions

What is the IUPAC name of 9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole?
The IUPAC name of 9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole (CID 155666003) is 9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole.
What is the SMILES notation for 9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole?
The canonical SMILES for 9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole is C(=Cn1c2ccccc2c2ccccc21)c1c2ccccc2c(C=Cn2c3ccccc3c3ccccc32)c2ccccc12.
What is the InChIKey of 9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole?
The InChIKey is UDOMPLMHAIJMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-2-14-30-29(13-1)33(25-27-43-39-21-9-5-17-35(39)36-18-6-10-22-40(36)43)31-15-3-4-16-32(31)34(30)26-28-44-41-23-11-7-19-37(41)38-20-8-12-24-42(38)44/h1-28H.
What are the key properties of 9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole?
9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole has a molecular weight of 560.70 g/mol, XLogP of 11.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[10-(2-carbazol-9-ylethenyl)anthracen-9-yl]ethenyl]carbazole is sourced from PubChem (CID 155666003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).