4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole

C35H36N2 — CID 87896632

IUPAC4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole
SMILESCCC1=C(C=CC=C2C(CC)C3=c4ccccc4=NC3=CC2(C)C)C(C)(C)C=C2N=c3ccccc3=C21
InChIInChI=1S/C35H36N2/c1-7-22-26(34(3,4)20-30-32(22)24-14-9-11-18-28(24)36-30)16-13-17-27-23(8-2)33-25-15-10-12-19-29(25)37-31(33)21-35(27,5)6/h9-22H,7-8H2,1-6H3
InChIKeyXAHXPAQOJFPASY-UHFFFAOYSA-N
MW484.69 g/mol
LogP6.02
Rot. Bonds4

About 4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole

4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole (PubChem CID 87896632) has the molecular formula C35H36N2 and a molecular weight of 484.69 g/mol. Its IUPAC name is 4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole.

Molecular Properties

Compound Name4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole
PubChem CID87896632
Molecular FormulaC35H36N2
Molecular Weight484.69 g/mol
Exact Mass484.29
IUPAC Name4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole
SMILESCCC1=C(C=CC=C2C(CC)C3=c4ccccc4=NC3=CC2(C)C)C(C)(C)C=C2N=c3ccccc3=C21
InChIInChI=1S/C35H36N2/c1-7-22-26(34(3,4)20-30-32(22)24-14-9-11-18-28(24)36-30)16-13-17-27-23(8-2)33-25-15-10-12-19-29(25)37-31(33)21-35(27,5)6/h9-22H,7-8H2,1-6H3
InChIKeyXAHXPAQOJFPASY-UHFFFAOYSA-N
XLogP6.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.69
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole?
The IUPAC name of 4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole (CID 87896632) is 4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole.
What is the SMILES notation for 4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole?
The canonical SMILES for 4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole is CCC1=C(C=CC=C2C(CC)C3=c4ccccc4=NC3=CC2(C)C)C(C)(C)C=C2N=c3ccccc3=C21.
What is the InChIKey of 4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole?
The InChIKey is XAHXPAQOJFPASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2/c1-7-22-26(34(3,4)20-30-32(22)24-14-9-11-18-28(24)36-30)16-13-17-27-23(8-2)33-25-15-10-12-19-29(25)37-31(33)21-35(27,5)6/h9-22H,7-8H2,1-6H3.
What are the key properties of 4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole?
4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole has a molecular weight of 484.69 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[3-(4-ethyl-2,2-dimethyl-4H-carbazol-3-ylidene)prop-1-enyl]-2,2-dimethylcarbazole is sourced from PubChem (CID 87896632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).