3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole

C50H32N2 — CID 139517794

IUPAC3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
SMILESC=Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C50H32N2/c1-2-32-20-25-48-44(28-32)46-30-34(22-27-50(46)51(48)35-12-4-3-5-13-35)33-21-26-49-45(29-33)42-18-10-11-19-47(42)52(49)36-23-24-41-39-16-7-6-14-37(39)38-15-8-9-17-40(38)43(41)31-36/h2-31H,1H2
InChIKeyUZXLELGYVDFREL-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.65
Rot. Bonds4

About 3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole

3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole (PubChem CID 139517794) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
PubChem CID139517794
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
SMILESC=Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C50H32N2/c1-2-32-20-25-48-44(28-32)46-30-34(22-27-50(46)51(48)35-12-4-3-5-13-35)33-21-26-49-45(29-33)42-18-10-11-19-47(42)52(49)36-23-24-41-39-16-7-6-14-37(39)38-15-8-9-17-40(38)43(41)31-36/h2-31H,1H2
InChIKeyUZXLELGYVDFREL-UHFFFAOYSA-N
XLogP13.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole
CID 139518027
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol
CID 142356795
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 164968359

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?
The IUPAC name of 3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole (CID 139517794) is 3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole is C=Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?
The InChIKey is UZXLELGYVDFREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-2-32-20-25-48-44(28-32)46-30-34(22-27-50(46)51(48)35-12-4-3-5-13-35)33-21-26-49-45(29-33)42-18-10-11-19-47(42)52(49)36-23-24-41-39-16-7-6-14-37(39)38-15-8-9-17-40(38)43(41)31-36/h2-31H,1H2.
What are the key properties of 3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?
3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole has a molecular weight of 660.82 g/mol, XLogP of 13.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 139517794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).