2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole

C31H23N — CID 175127957

IUPAC2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole
SMILESC=CCn1c2ccccc2c2ccc(C(=C)c3cccc4cc5ccccc5cc34)cc21
InChIInChI=1S/C31H23N/c1-3-17-32-30-14-7-6-12-27(30)28-16-15-22(20-31(28)32)21(2)26-13-8-11-25-18-23-9-4-5-10-24(23)19-29(25)26/h3-16,18-20H,1-2,17H2
InChIKeyNSZBBIHALOOHOT-UHFFFAOYSA-N
MW409.53 g/mol
LogP8.35
Rot. Bonds4

About 2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole

2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole (PubChem CID 175127957) has the molecular formula C31H23N and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole.

Molecular Properties

Compound Name2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole
PubChem CID175127957
Molecular FormulaC31H23N
Molecular Weight409.53 g/mol
Exact Mass409.18
IUPAC Name2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole
SMILESC=CCn1c2ccccc2c2ccc(C(=C)c3cccc4cc5ccccc5cc34)cc21
InChIInChI=1S/C31H23N/c1-3-17-32-30-14-7-6-12-27(30)28-16-15-22(20-31(28)32)21(2)26-13-8-11-25-18-23-9-4-5-10-24(23)19-29(25)26/h3-16,18-20H,1-2,17H2
InChIKeyNSZBBIHALOOHOT-UHFFFAOYSA-N
XLogP8.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole?
The IUPAC name of 2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole (CID 175127957) is 2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole.
What is the SMILES notation for 2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole?
The canonical SMILES for 2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole is C=CCn1c2ccccc2c2ccc(C(=C)c3cccc4cc5ccccc5cc34)cc21.
What is the InChIKey of 2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole?
The InChIKey is NSZBBIHALOOHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N/c1-3-17-32-30-14-7-6-12-27(30)28-16-15-22(20-31(28)32)21(2)26-13-8-11-25-18-23-9-4-5-10-24(23)19-29(25)26/h3-16,18-20H,1-2,17H2.
What are the key properties of 2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole?
2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole has a molecular weight of 409.53 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-anthracen-1-ylethenyl)-9-prop-2-enylcarbazole is sourced from PubChem (CID 175127957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).